REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2oa0_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINXXXXX XXXHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAICRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACCFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQCTEDH PHXXXXXXEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.255 176.300 -0.075 0.000 1.140 1 M CA 0.000 55.254 55.300 -0.077 0.000 0.988 1 M CB 0.000 32.517 32.600 -0.138 0.000 1.302 2 E N 2.304 122.448 120.200 -0.094 0.000 2.005 2 E HA 0.100 4.439 4.350 -0.019 0.000 0.191 2 E C 0.832 177.414 176.600 -0.029 0.000 0.987 2 E CA 1.480 57.859 56.400 -0.036 0.000 0.814 2 E CB 0.178 29.867 29.700 -0.018 0.000 0.772 2 E HN 0.762 nan 8.360 nan 0.000 0.453 3 A N 0.890 123.646 122.820 -0.107 0.000 3.135 3 A HA 0.412 4.721 4.320 -0.019 0.000 0.253 3 A C 1.340 178.731 177.584 -0.322 0.000 1.638 3 A CA 0.705 52.632 52.037 -0.182 0.000 1.295 3 A CB -0.475 18.402 19.000 -0.205 0.000 1.106 3 A HN 0.228 nan 8.150 nan 0.000 0.648 4 A N 1.276 124.000 122.820 -0.161 0.000 1.877 4 A HA -0.174 4.135 4.320 -0.019 0.000 0.216 4 A C 2.027 179.521 177.584 -0.150 0.000 1.186 4 A CA 1.597 53.556 52.037 -0.129 0.000 0.620 4 A CB -0.994 17.997 19.000 -0.016 0.000 0.822 4 A HN 0.955 nan 8.150 nan 0.000 0.443 5 H N 0.480 119.539 119.070 -0.018 0.000 2.472 5 H HA -0.153 4.392 4.556 -0.019 0.000 0.296 5 H C 1.764 177.081 175.328 -0.018 0.000 1.120 5 H CA 1.971 58.012 56.048 -0.012 0.000 1.250 5 H CB -0.682 29.086 29.762 0.011 0.000 1.366 5 H HN 0.573 nan 8.280 nan 0.000 0.524 6 S N -0.251 115.079 115.700 -0.616 0.000 2.517 6 S HA 0.142 4.601 4.470 -0.019 0.000 0.214 6 S C 0.700 175.181 174.600 -0.199 0.000 0.991 6 S CA -0.569 57.413 58.200 -0.364 0.000 0.906 6 S CB 0.497 63.412 63.200 -0.474 0.000 0.789 6 S HN 0.057 nan 8.310 nan 0.000 0.513 7 K N 3.241 123.526 120.400 -0.192 0.000 2.118 7 K HA 0.429 4.738 4.320 -0.019 0.000 0.267 7 K C 0.542 177.101 176.600 -0.067 0.000 0.991 7 K CA -0.190 56.026 56.287 -0.119 0.000 0.916 7 K CB 1.459 33.879 32.500 -0.133 0.000 1.041 7 K HN 0.452 nan 8.250 nan 0.000 0.455 8 S N -0.024 115.651 115.700 -0.043 0.000 2.587 8 S HA -0.031 4.428 4.470 -0.019 0.000 0.260 8 S C 1.354 175.949 174.600 -0.009 0.000 1.353 8 S CA 0.069 58.255 58.200 -0.023 0.000 0.995 8 S CB 0.566 63.757 63.200 -0.015 0.000 0.912 8 S HN 0.573 nan 8.310 nan 0.000 0.568 9 T N 0.519 115.072 114.554 -0.002 0.000 2.867 9 T HA -0.056 4.283 4.350 -0.019 0.000 0.268 9 T C 1.420 176.131 174.700 0.020 0.000 1.057 9 T CA 1.744 63.848 62.100 0.007 0.000 1.136 9 T CB -0.615 68.254 68.868 0.001 0.000 0.874 9 T HN 0.731 nan 8.240 nan 0.000 0.466 10 E N 0.846 121.056 120.200 0.016 0.000 2.158 10 E HA 0.002 4.341 4.350 -0.019 0.000 0.191 10 E C 2.151 178.774 176.600 0.038 0.000 0.982 10 E CA 0.776 57.191 56.400 0.025 0.000 0.823 10 E CB -0.078 29.631 29.700 0.016 0.000 0.766 10 E HN 0.565 nan 8.360 nan 0.000 0.468 11 E N -0.486 119.729 120.200 0.026 0.000 2.204 11 E HA -0.120 4.219 4.350 -0.019 0.000 0.194 11 E C 1.556 178.195 176.600 0.065 0.000 0.989 11 E CA 0.787 57.205 56.400 0.029 0.000 0.824 11 E CB -0.042 29.653 29.700 -0.008 0.000 0.756 11 E HN 0.245 nan 8.360 nan 0.000 0.477 12 C N 0.141 119.486 119.300 0.074 0.000 2.464 12 C HA 0.019 4.468 4.460 -0.019 0.000 0.278 12 C C 2.338 177.488 174.990 0.267 0.000 1.375 12 C CA 0.262 59.370 59.018 0.151 0.000 1.761 12 C CB -0.624 27.186 27.740 0.116 0.000 1.944 12 C HN 0.391 nan 8.230 nan 0.000 0.509 13 L N 0.862 122.192 121.223 0.178 0.000 2.095 13 L HA 0.004 4.333 4.340 -0.019 0.000 0.204 13 L C 2.824 179.799 176.870 0.175 0.000 1.080 13 L CA 1.382 56.331 54.840 0.182 0.000 0.759 13 L CB -0.764 41.356 42.059 0.102 0.000 0.914 13 L HN 0.225 nan 8.230 nan 0.000 0.439 14 A N -0.848 122.049 122.820 0.128 0.000 2.070 14 A HA -0.258 4.051 4.320 -0.019 0.000 0.220 14 A C 2.149 179.791 177.584 0.096 0.000 1.159 14 A CA 1.348 53.441 52.037 0.092 0.000 0.656 14 A CB -0.704 18.336 19.000 0.067 0.000 0.800 14 A HN 0.508 nan 8.150 nan 0.000 0.453 15 Y N -1.764 118.521 120.300 -0.025 0.000 2.365 15 Y HA 0.097 4.636 4.550 -0.019 0.000 0.293 15 Y C 1.172 176.919 175.900 -0.254 0.000 1.119 15 Y CA 1.051 59.047 58.100 -0.175 0.000 1.203 15 Y CB 0.073 38.364 38.460 -0.281 0.000 1.026 15 Y HN 0.244 nan 8.280 nan 0.000 0.549 16 F N 0.087 120.094 119.950 0.095 0.000 2.695 16 F HA 0.348 4.864 4.527 -0.019 0.000 0.303 16 F C 1.550 177.389 175.800 0.064 0.000 1.091 16 F CA 0.263 58.310 58.000 0.080 0.000 1.300 16 F CB 0.046 39.153 39.000 0.178 0.000 1.071 16 F HN 0.026 nan 8.300 nan 0.000 0.578 17 G N 2.200 111.094 108.800 0.156 0.000 2.386 17 G HA2 -0.142 3.807 3.960 -0.019 0.000 0.295 17 G HA3 -0.142 3.807 3.960 -0.019 0.000 0.295 17 G C -0.457 174.508 174.900 0.109 0.000 0.979 17 G CA 0.598 45.757 45.100 0.098 0.000 1.193 17 G HN 0.359 nan 8.290 nan 0.000 0.508 18 V N -0.263 119.726 119.914 0.125 0.000 3.007 18 V HA 0.871 4.980 4.120 -0.019 0.000 0.311 18 V C 0.110 176.242 176.094 0.063 0.000 1.120 18 V CA -0.081 62.273 62.300 0.091 0.000 0.980 18 V CB 2.339 34.225 31.823 0.106 0.000 1.033 18 V HN 1.062 nan 8.190 nan 0.000 0.429 19 S N 3.004 118.727 115.700 0.040 0.000 2.442 19 S HA 0.322 4.781 4.470 -0.019 0.000 0.297 19 S C 0.834 175.442 174.600 0.014 0.000 1.131 19 S CA 0.202 58.418 58.200 0.027 0.000 1.092 19 S CB 1.388 64.601 63.200 0.022 0.000 0.998 19 S HN 0.982 nan 8.310 nan 0.000 0.478 20 E N 2.833 123.034 120.200 0.002 0.000 2.160 20 E HA -0.170 4.169 4.350 -0.019 0.000 0.195 20 E C 1.681 178.255 176.600 -0.043 0.000 0.991 20 E CA 1.938 58.321 56.400 -0.028 0.000 0.810 20 E CB -0.167 29.513 29.700 -0.032 0.000 0.742 20 E HN 0.907 nan 8.360 nan 0.000 0.466 21 T N -1.775 112.769 114.554 -0.017 0.000 2.770 21 T HA -0.148 4.191 4.350 -0.019 0.000 0.263 21 T C 2.156 176.873 174.700 0.028 0.000 1.039 21 T CA 1.873 63.970 62.100 -0.005 0.000 1.142 21 T CB -0.769 68.103 68.868 0.006 0.000 0.868 21 T HN 0.298 nan 8.240 nan 0.000 0.435 22 T N -0.516 114.057 114.554 0.031 0.000 2.739 22 T HA 0.507 4.846 4.350 -0.019 0.000 0.246 22 T C 1.485 176.224 174.700 0.065 0.000 1.058 22 T CA 0.910 63.039 62.100 0.048 0.000 1.184 22 T CB -0.879 68.008 68.868 0.032 0.000 0.887 22 T HN 1.363 nan 8.240 nan 0.000 0.408 23 G N 0.644 109.470 108.800 0.044 0.000 2.318 23 G HA2 0.092 4.041 3.960 -0.019 0.000 0.367 23 G HA3 0.092 4.041 3.960 -0.019 0.000 0.367 23 G C -1.271 173.643 174.900 0.023 0.000 1.260 23 G CA -0.521 44.606 45.100 0.045 0.000 1.055 23 G HN 0.677 nan 8.290 nan 0.000 0.484 24 L N 1.942 123.172 121.223 0.011 0.000 2.367 24 L HA 0.386 4.715 4.340 -0.019 0.000 0.275 24 L C 1.662 178.518 176.870 -0.024 0.000 1.129 24 L CA 0.091 54.917 54.840 -0.022 0.000 0.839 24 L CB 0.899 42.930 42.059 -0.047 0.000 1.133 24 L HN 0.940 nan 8.230 nan 0.000 0.453 25 T N 0.677 115.209 114.554 -0.036 0.000 2.930 25 T HA 0.120 4.458 4.350 -0.019 0.000 0.306 25 T C -1.465 173.209 174.700 -0.042 0.000 1.045 25 T CA -1.480 60.602 62.100 -0.031 0.000 1.134 25 T CB 0.901 69.751 68.868 -0.031 0.000 0.961 25 T HN 0.466 nan 8.240 nan 0.000 0.545 26 P HA -0.112 nan 4.420 nan 0.000 0.223 26 P C 0.842 178.125 177.300 -0.030 0.000 1.144 26 P CA 1.164 64.251 63.100 -0.023 0.000 0.783 26 P CB 0.100 31.793 31.700 -0.013 0.000 0.771 27 D N 0.034 120.412 120.400 -0.037 0.000 2.103 27 D HA -0.160 4.469 4.640 -0.019 0.000 0.199 27 D C 2.188 178.449 176.300 -0.067 0.000 0.978 27 D CA 1.054 55.030 54.000 -0.039 0.000 0.829 27 D CB -0.385 40.394 40.800 -0.034 0.000 0.981 27 D HN 0.050 nan 8.370 nan 0.000 0.464 28 Q N -0.195 119.537 119.800 -0.114 0.000 2.135 28 Q HA -0.120 4.209 4.340 -0.019 0.000 0.204 28 Q C 2.395 178.243 176.000 -0.253 0.000 0.981 28 Q CA 1.382 57.037 55.803 -0.248 0.000 0.856 28 Q CB 0.033 28.573 28.738 -0.329 0.000 0.902 28 Q HN 0.279 nan 8.270 nan 0.000 0.425 29 V N 1.141 120.977 119.914 -0.130 0.000 2.568 29 V HA -0.275 3.834 4.120 -0.019 0.000 0.253 29 V C 1.901 177.996 176.094 0.001 0.000 1.072 29 V CA 1.773 64.048 62.300 -0.042 0.000 1.084 29 V CB -0.463 31.350 31.823 -0.016 0.000 0.676 29 V HN 0.291 nan 8.190 nan 0.000 0.469 30 K N 0.103 120.494 120.400 -0.015 0.000 2.021 30 K HA -0.037 4.272 4.320 -0.019 0.000 0.205 30 K C 2.426 179.033 176.600 0.012 0.000 1.047 30 K CA 1.074 57.361 56.287 -0.001 0.000 0.943 30 K CB -0.231 32.266 32.500 -0.006 0.000 0.725 30 K HN 0.391 nan 8.250 nan 0.000 0.439 31 R N 0.238 120.745 120.500 0.012 0.000 2.083 31 R HA -0.140 4.189 4.340 -0.019 0.000 0.237 31 R C 2.271 178.630 176.300 0.098 0.000 1.137 31 R CA 1.606 57.729 56.100 0.038 0.000 0.951 31 R CB -0.665 29.663 30.300 0.046 0.000 0.851 31 R HN 0.443 nan 8.270 nan 0.000 0.434 32 H N 0.528 119.597 119.070 -0.002 0.000 2.270 32 H HA -0.118 4.427 4.556 -0.019 0.000 0.299 32 H C 2.364 177.710 175.328 0.031 0.000 1.077 32 H CA 1.340 57.422 56.048 0.057 0.000 1.294 32 H CB -0.080 29.801 29.762 0.199 0.000 1.371 32 H HN 0.104 nan 8.280 nan 0.000 0.491 33 L N 1.054 122.362 121.223 0.142 0.000 2.189 33 L HA -0.212 4.117 4.340 -0.019 0.000 0.214 33 L C 2.057 178.883 176.870 -0.074 0.000 1.097 33 L CA 1.292 56.122 54.840 -0.016 0.000 0.764 33 L CB 0.014 42.005 42.059 -0.113 0.000 0.900 33 L HN 0.207 nan 8.230 nan 0.000 0.436 34 E N -0.321 119.850 120.200 -0.047 0.000 2.112 34 E HA -0.198 4.141 4.350 -0.019 0.000 0.190 34 E C 2.044 178.582 176.600 -0.104 0.000 0.979 34 E CA 0.905 57.267 56.400 -0.063 0.000 0.814 34 E CB 0.058 29.732 29.700 -0.043 0.000 0.762 34 E HN 0.353 nan 8.360 nan 0.000 0.460 35 K N -0.929 119.355 120.400 -0.194 0.000 2.031 35 K HA -0.099 4.210 4.320 -0.019 0.000 0.205 35 K C 0.864 177.242 176.600 -0.371 0.000 1.049 35 K CA 1.152 57.200 56.287 -0.398 0.000 0.939 35 K CB 0.012 32.058 32.500 -0.756 0.000 0.717 35 K HN 0.156 nan 8.250 nan 0.000 0.438 36 Y N -0.239 120.053 120.300 -0.013 0.000 2.467 36 Y HA 0.321 4.860 4.550 -0.019 0.000 0.250 36 Y C 0.893 176.787 175.900 -0.011 0.000 1.155 36 Y CA 0.042 58.138 58.100 -0.007 0.000 1.249 36 Y CB 0.719 39.177 38.460 -0.003 0.000 1.146 36 Y HN 0.298 nan 8.280 nan 0.000 0.524 37 G N 0.309 109.148 108.800 0.064 0.000 2.750 37 G HA2 -0.229 3.720 3.960 -0.019 0.000 0.228 37 G HA3 -0.229 3.720 3.960 -0.019 0.000 0.228 37 G C -0.696 174.184 174.900 -0.032 0.000 1.367 37 G CA -0.648 44.457 45.100 0.007 0.000 0.871 37 G HN 0.342 nan 8.290 nan 0.000 0.560 38 H N 0.311 119.427 119.070 0.077 0.000 2.551 38 H HA 0.273 4.818 4.556 -0.019 0.000 0.358 38 H C 0.889 176.253 175.328 0.060 0.000 1.151 38 H CA -0.039 56.048 56.048 0.065 0.000 1.374 38 H CB 1.187 30.977 29.762 0.048 0.000 1.473 38 H HN 0.472 nan 8.280 nan 0.000 0.574 39 N N 2.489 121.303 118.700 0.190 0.000 3.103 39 N HA -0.048 4.681 4.740 -0.019 0.000 0.305 39 N C -0.569 175.000 175.510 0.099 0.000 1.232 39 N CA -0.066 53.053 53.050 0.114 0.000 1.190 39 N CB -0.305 38.234 38.487 0.087 0.000 1.461 39 N HN 0.639 nan 8.380 nan 0.000 0.538 40 E N -0.146 120.113 120.200 0.099 0.000 2.429 40 E HA 0.362 4.701 4.350 -0.019 0.000 0.276 40 E C -1.269 175.366 176.600 0.058 0.000 0.953 40 E CA -0.977 55.464 56.400 0.068 0.000 0.787 40 E CB 0.759 30.491 29.700 0.054 0.000 1.307 40 E HN -0.060 nan 8.360 nan 0.000 0.458 41 L N 1.806 123.055 121.223 0.042 0.000 2.357 41 L HA 0.385 4.714 4.340 -0.019 0.000 0.273 41 L C -2.162 174.725 176.870 0.029 0.000 1.080 41 L CA -1.883 52.978 54.840 0.035 0.000 0.803 41 L CB 0.437 42.512 42.059 0.028 0.000 1.174 41 L HN 0.500 nan 8.230 nan 0.000 0.443 42 P HA 0.037 nan 4.420 nan 0.000 0.264 42 P C -0.786 176.522 177.300 0.012 0.000 1.183 42 P CA -0.245 62.868 63.100 0.022 0.000 0.763 42 P CB 0.344 32.055 31.700 0.018 0.000 0.807 43 A N 3.449 126.274 122.820 0.009 0.000 2.425 43 A HA 0.176 4.485 4.320 -0.019 0.000 0.242 43 A C 0.489 178.071 177.584 -0.003 0.000 1.077 43 A CA -0.400 51.638 52.037 0.002 0.000 0.781 43 A CB -0.412 18.587 19.000 -0.000 0.000 1.020 43 A HN 0.654 nan 8.150 nan 0.000 0.494 44 E N 0.855 121.050 120.200 -0.008 0.000 2.534 44 E HA 0.016 4.355 4.350 -0.019 0.000 0.264 44 E C 0.355 176.945 176.600 -0.016 0.000 0.981 44 E CA 0.853 57.245 56.400 -0.014 0.000 0.948 44 E CB 0.208 29.896 29.700 -0.019 0.000 0.934 44 E HN 0.658 nan 8.360 nan 0.000 0.459 45 E N 2.681 122.869 120.200 -0.020 0.000 2.268 45 E HA 0.044 4.383 4.350 -0.019 0.000 0.195 45 E C 0.842 177.423 176.600 -0.032 0.000 0.995 45 E CA 0.596 56.983 56.400 -0.022 0.000 0.836 45 E CB -0.295 29.391 29.700 -0.023 0.000 0.763 45 E HN 0.880 nan 8.360 nan 0.000 0.491 46 G N 0.556 109.331 108.800 -0.041 0.000 2.712 46 G HA2 0.137 4.086 3.960 -0.019 0.000 0.686 46 G HA3 0.137 4.086 3.960 -0.019 0.000 0.686 46 G C -0.551 174.295 174.900 -0.090 0.000 1.181 46 G CA -0.399 44.666 45.100 -0.058 0.000 0.762 46 G HN 0.457 nan 8.290 nan 0.000 0.641 47 K N -1.007 119.315 120.400 -0.131 0.000 2.092 47 K HA 0.985 5.294 4.320 -0.019 0.000 0.252 47 K C 0.100 176.492 176.600 -0.347 0.000 0.988 47 K CA -0.124 56.051 56.287 -0.187 0.000 0.837 47 K CB 0.897 33.312 32.500 -0.142 0.000 1.493 47 K HN 2.550 nan 8.250 nan 0.000 0.449 48 S N -1.160 114.280 115.700 -0.433 0.000 2.862 48 S HA 0.149 4.607 4.470 -0.019 0.000 0.291 48 S C -0.377 173.853 174.600 -0.617 0.000 0.772 48 S CA -0.429 57.271 58.200 -0.834 0.000 0.762 48 S CB -0.951 61.168 63.200 -1.803 0.000 0.963 48 S HN 1.060 nan 8.310 nan 0.000 0.537 49 L N 0.446 121.523 121.223 -0.243 0.000 2.786 49 L HA 0.358 4.687 4.340 -0.019 0.000 0.250 49 L C 1.184 178.250 176.870 0.327 0.000 1.151 49 L CA 0.411 55.335 54.840 0.140 0.000 0.910 49 L CB -1.949 40.308 42.059 0.330 0.000 1.082 49 L HN 0.809 nan 8.230 nan 0.000 0.433 50 W N -1.998 119.339 121.300 0.063 0.000 2.850 50 W HA 0.362 5.010 4.660 -0.019 0.000 0.260 50 W C 1.802 178.354 176.519 0.055 0.000 1.129 50 W CA -0.201 57.175 57.345 0.051 0.000 1.587 50 W CB -0.278 29.201 29.460 0.032 0.000 1.041 50 W HN -0.035 nan 8.180 nan 0.000 0.614 51 E N 1.379 121.510 120.200 -0.116 0.000 2.427 51 E HA 0.044 4.383 4.350 -0.019 0.000 0.196 51 E C 2.015 178.594 176.600 -0.036 0.000 1.028 51 E CA 0.659 57.023 56.400 -0.060 0.000 0.864 51 E CB -0.186 29.437 29.700 -0.127 0.000 0.813 51 E HN 0.337 nan 8.360 nan 0.000 0.514 52 L N -0.838 120.356 121.223 -0.049 0.000 2.131 52 L HA -0.083 4.246 4.340 -0.019 0.000 0.206 52 L C 1.967 178.868 176.870 0.051 0.000 1.087 52 L CA 0.493 55.327 54.840 -0.010 0.000 0.767 52 L CB -0.095 41.956 42.059 -0.015 0.000 0.917 52 L HN 0.087 nan 8.230 nan 0.000 0.441 53 V N -0.038 119.943 119.914 0.111 0.000 2.379 53 V HA -0.231 3.878 4.120 -0.019 0.000 0.245 53 V C 2.292 178.544 176.094 0.263 0.000 1.044 53 V CA 1.140 63.547 62.300 0.179 0.000 1.036 53 V CB -0.195 31.772 31.823 0.241 0.000 0.664 53 V HN 0.278 nan 8.190 nan 0.000 0.453 54 I N 0.051 120.750 120.570 0.214 0.000 2.614 54 I HA -0.127 4.032 4.170 -0.019 0.000 0.258 54 I C 2.255 178.468 176.117 0.161 0.000 1.189 54 I CA 1.185 62.613 61.300 0.213 0.000 1.462 54 I CB -1.188 36.886 38.000 0.124 0.000 1.092 54 I HN 0.464 nan 8.210 nan 0.000 0.442 55 E N -0.057 120.198 120.200 0.093 0.000 2.482 55 E HA -0.126 4.213 4.350 -0.019 0.000 0.196 55 E C 1.870 178.484 176.600 0.024 0.000 1.047 55 E CA 0.178 56.606 56.400 0.046 0.000 0.869 55 E CB 0.204 29.912 29.700 0.013 0.000 0.836 55 E HN 0.424 nan 8.360 nan 0.000 0.520 56 Q N -0.702 119.101 119.800 0.005 0.000 2.250 56 Q HA 0.010 4.339 4.340 -0.019 0.000 0.200 56 Q C 1.426 177.329 176.000 -0.163 0.000 0.941 56 Q CA 0.690 56.420 55.803 -0.122 0.000 0.872 56 Q CB 0.159 28.748 28.738 -0.248 0.000 0.965 56 Q HN 0.315 nan 8.270 nan 0.000 0.480 57 F N 1.050 121.000 119.950 -0.001 0.000 2.558 57 F HA -0.023 4.493 4.527 -0.018 0.000 0.298 57 F C 2.159 177.953 175.800 -0.011 0.000 1.119 57 F CA 0.670 58.664 58.000 -0.009 0.000 1.451 57 F CB 0.144 39.136 39.000 -0.013 0.000 1.091 57 F HN 0.131 nan 8.300 nan 0.000 0.563 58 E N 0.119 120.402 120.200 0.137 0.000 2.427 58 E HA -0.126 4.213 4.350 -0.019 0.000 0.196 58 E C 0.393 177.018 176.600 0.041 0.000 1.028 58 E CA -0.063 56.384 56.400 0.078 0.000 0.864 58 E CB -0.004 29.729 29.700 0.055 0.000 0.813 58 E HN 0.144 nan 8.360 nan 0.000 0.514 59 D N 0.089 120.503 120.400 0.022 0.000 2.399 59 D HA -0.040 4.589 4.640 -0.019 0.000 0.241 59 D C 1.517 177.820 176.300 0.006 0.000 1.133 59 D CA 0.048 54.050 54.000 0.002 0.000 0.890 59 D CB 1.073 41.860 40.800 -0.022 0.000 1.201 59 D HN 0.088 nan 8.370 nan 0.000 0.432 60 L N 2.414 123.636 121.223 -0.002 0.000 1.989 60 L HA -0.239 4.089 4.340 -0.019 0.000 0.211 60 L C 2.230 179.094 176.870 -0.011 0.000 1.071 60 L CA 0.703 55.539 54.840 -0.007 0.000 0.749 60 L CB -0.395 41.653 42.059 -0.018 0.000 0.890 60 L HN 0.420 nan 8.230 nan 0.000 0.431 61 L N -0.479 120.736 121.223 -0.014 0.000 2.056 61 L HA -0.123 4.206 4.340 -0.019 0.000 0.207 61 L C 2.267 179.134 176.870 -0.005 0.000 1.078 61 L CA 1.366 56.197 54.840 -0.015 0.000 0.749 61 L CB -0.861 41.193 42.059 -0.009 0.000 0.901 61 L HN 0.063 nan 8.230 nan 0.000 0.433 62 V N -1.619 118.291 119.914 -0.008 0.000 3.510 62 V HA -0.062 4.047 4.120 -0.019 0.000 0.270 62 V C 2.332 178.469 176.094 0.073 0.000 1.201 62 V CA 0.630 62.931 62.300 0.003 0.000 1.166 62 V CB -0.872 30.898 31.823 -0.089 0.000 0.825 62 V HN 0.355 nan 8.190 nan 0.000 0.484 63 R N -0.359 120.169 120.500 0.046 0.000 2.156 63 R HA 0.175 4.504 4.340 -0.019 0.000 0.207 63 R C 2.071 178.382 176.300 0.018 0.000 1.040 63 R CA 0.554 56.682 56.100 0.046 0.000 1.013 63 R CB 0.057 30.373 30.300 0.027 0.000 0.931 63 R HN 0.326 nan 8.270 nan 0.000 0.465 64 I N 1.018 121.589 120.570 0.003 0.000 2.233 64 I HA -0.192 3.967 4.170 -0.019 0.000 0.243 64 I C 2.196 178.308 176.117 -0.007 0.000 1.093 64 I CA 1.323 62.615 61.300 -0.014 0.000 1.380 64 I CB -0.871 37.112 38.000 -0.027 0.000 1.067 64 I HN 0.198 nan 8.210 nan 0.000 0.413 65 L N -0.041 121.185 121.223 0.005 0.000 2.191 65 L HA -0.211 4.118 4.340 -0.019 0.000 0.212 65 L C 2.459 179.340 176.870 0.018 0.000 1.103 65 L CA 0.862 55.710 54.840 0.013 0.000 0.769 65 L CB -0.380 41.691 42.059 0.020 0.000 0.908 65 L HN 0.244 nan 8.230 nan 0.000 0.438 66 L N -0.682 120.558 121.223 0.028 0.000 2.270 66 L HA -0.100 4.228 4.340 -0.019 0.000 0.210 66 L C 2.096 178.952 176.870 -0.024 0.000 1.104 66 L CA 1.152 55.998 54.840 0.010 0.000 0.804 66 L CB -0.219 41.867 42.059 0.045 0.000 0.937 66 L HN 0.114 nan 8.230 nan 0.000 0.450 67 L N -0.224 120.989 121.223 -0.017 0.000 2.056 67 L HA -0.001 4.328 4.340 -0.019 0.000 0.207 67 L C 2.414 179.270 176.870 -0.023 0.000 1.078 67 L CA 1.969 56.793 54.840 -0.027 0.000 0.749 67 L CB -0.855 41.184 42.059 -0.034 0.000 0.901 67 L HN 0.183 nan 8.230 nan 0.000 0.433 68 A N -0.473 122.337 122.820 -0.017 0.000 2.015 68 A HA 0.001 4.310 4.320 -0.019 0.000 0.219 68 A C 2.368 179.968 177.584 0.026 0.000 1.163 68 A CA 1.420 53.456 52.037 -0.001 0.000 0.646 68 A CB -0.959 18.041 19.000 0.000 0.000 0.806 68 A HN 0.576 nan 8.150 nan 0.000 0.448 69 A N -1.328 121.495 122.820 0.005 0.000 2.067 69 A HA -0.011 4.297 4.320 -0.019 0.000 0.217 69 A C 2.122 179.694 177.584 -0.021 0.000 1.156 69 A CA 1.328 53.363 52.037 -0.003 0.000 0.683 69 A CB -0.913 18.050 19.000 -0.061 0.000 0.808 69 A HN 0.594 nan 8.150 nan 0.000 0.455 70 C N -0.457 118.823 119.300 -0.033 0.000 2.475 70 C HA 0.034 4.483 4.460 -0.019 0.000 0.279 70 C C 2.386 177.442 174.990 0.111 0.000 1.322 70 C CA 0.344 59.348 59.018 -0.024 0.000 1.734 70 C CB -0.887 26.838 27.740 -0.025 0.000 2.005 70 C HN 0.559 nan 8.230 nan 0.000 0.495 71 I N 1.044 121.685 120.570 0.119 0.000 2.406 71 I HA -0.089 4.070 4.170 -0.019 0.000 0.249 71 I C 2.644 178.900 176.117 0.233 0.000 1.122 71 I CA 1.326 62.745 61.300 0.199 0.000 1.431 71 I CB -1.660 36.418 38.000 0.130 0.000 1.087 71 I HN 0.266 nan 8.210 nan 0.000 0.424 72 S N 0.286 116.099 115.700 0.188 0.000 2.440 72 S HA -0.139 4.320 4.470 -0.019 0.000 0.238 72 S C 1.973 176.681 174.600 0.181 0.000 1.010 72 S CA 1.335 59.646 58.200 0.185 0.000 0.972 72 S CB -0.252 63.032 63.200 0.140 0.000 0.774 72 S HN 0.358 nan 8.310 nan 0.000 0.501 73 F N -0.224 119.707 119.950 -0.033 0.000 2.262 73 F HA 0.193 4.708 4.527 -0.019 0.000 0.292 73 F C 2.049 177.944 175.800 0.158 0.000 1.081 73 F CA 0.518 58.487 58.000 -0.051 0.000 1.355 73 F CB -0.023 38.910 39.000 -0.112 0.000 1.069 73 F HN 0.062 nan 8.300 nan 0.000 0.506 74 V N 0.995 121.108 119.914 0.333 0.000 3.592 74 V HA -0.068 4.041 4.120 -0.019 0.000 0.272 74 V C 1.234 177.476 176.094 0.247 0.000 1.228 74 V CA 1.015 63.480 62.300 0.276 0.000 1.173 74 V CB -0.538 31.440 31.823 0.259 0.000 0.873 74 V HN 0.291 nan 8.190 nan 0.000 0.476 75 L N -1.050 120.332 121.223 0.266 0.000 2.388 75 L HA 0.278 4.607 4.340 -0.019 0.000 0.209 75 L C 2.442 179.455 176.870 0.239 0.000 1.061 75 L CA 0.911 55.895 54.840 0.240 0.000 0.834 75 L CB -0.575 41.634 42.059 0.250 0.000 1.029 75 L HN 0.373 nan 8.230 nan 0.000 0.473 76 A N 0.778 123.748 122.820 0.249 0.000 1.839 76 A HA -0.026 4.282 4.320 -0.019 0.000 0.213 76 A C 0.876 178.693 177.584 0.388 0.000 1.274 76 A CA 1.748 53.892 52.037 0.178 0.000 0.608 76 A CB -0.539 18.165 19.000 -0.493 0.000 0.920 76 A HN 0.526 nan 8.150 nan 0.000 0.465 77 W N -4.921 116.399 121.300 0.034 0.000 3.553 77 W HA 0.614 5.263 4.660 -0.019 0.000 0.391 77 W C 0.088 176.746 176.519 0.232 0.000 1.619 77 W CA -0.414 56.989 57.345 0.097 0.000 1.382 77 W CB -0.013 29.469 29.460 0.037 0.000 1.483 77 W HN 0.321 nan 8.180 nan 0.000 0.638 78 F N 1.496 121.638 119.950 0.320 0.000 2.808 78 F HA 0.478 4.994 4.527 -0.019 0.000 0.257 78 F C 0.506 176.390 175.800 0.140 0.000 1.286 78 F CA -0.651 57.466 58.000 0.195 0.000 0.999 78 F CB 0.574 39.701 39.000 0.212 0.000 2.005 78 F HN 0.469 nan 8.300 nan 0.000 0.528 79 E N 0.752 120.574 120.200 -0.630 0.000 2.280 79 E HA 0.241 4.580 4.350 -0.019 0.000 0.261 79 E C -1.080 175.456 176.600 -0.106 0.000 1.088 79 E CA -0.791 55.328 56.400 -0.468 0.000 0.915 79 E CB 0.471 29.732 29.700 -0.732 0.000 1.141 79 E HN 0.246 nan 8.360 nan 0.000 0.433 80 E N -0.456 119.705 120.200 -0.064 0.000 2.565 80 E HA 0.185 4.524 4.350 -0.019 0.000 0.268 80 E C 0.020 176.660 176.600 0.066 0.000 1.000 80 E CA 1.359 57.778 56.400 0.031 0.000 0.964 80 E CB 0.529 30.231 29.700 0.002 0.000 0.955 80 E HN 0.656 nan 8.360 nan 0.000 0.459 81 G N 2.877 111.729 108.800 0.088 0.000 3.324 81 G HA2 0.299 4.248 3.960 -0.019 0.000 0.188 81 G HA3 0.299 4.248 3.960 -0.019 0.000 0.188 81 G C -0.303 174.615 174.900 0.030 0.000 1.384 81 G CA 0.279 45.410 45.100 0.050 0.000 0.841 81 G HN 0.588 nan 8.290 nan 0.000 0.758 82 E N -0.731 119.478 120.200 0.014 0.000 3.846 82 E HA 0.579 4.918 4.350 -0.019 0.000 0.262 82 E C -0.973 175.634 176.600 0.012 0.000 0.786 82 E CA -0.561 55.841 56.400 0.004 0.000 1.620 82 E CB 0.641 30.333 29.700 -0.014 0.000 1.928 82 E HN 0.162 nan 8.360 nan 0.000 0.410 83 E N 0.422 120.618 120.200 -0.006 0.000 2.224 83 E HA 0.245 4.584 4.350 -0.019 0.000 0.265 83 E C -1.270 175.316 176.600 -0.023 0.000 0.878 83 E CA -0.433 55.965 56.400 -0.002 0.000 0.759 83 E CB 1.980 31.677 29.700 -0.005 0.000 1.164 83 E HN 0.434 nan 8.360 nan 0.000 0.414 84 T N 3.651 118.196 114.554 -0.016 0.000 3.377 84 T HA 0.216 4.555 4.350 -0.019 0.000 0.270 84 T C 1.374 176.078 174.700 0.007 0.000 1.586 84 T CA -0.338 61.748 62.100 -0.023 0.000 1.487 84 T CB -0.815 68.017 68.868 -0.060 0.000 0.994 84 T HN 0.362 nan 8.240 nan 0.000 0.689 85 I N 1.824 122.394 120.570 0.001 0.000 2.600 85 I HA -0.415 3.744 4.170 -0.019 0.000 0.230 85 I C 2.846 178.958 176.117 -0.008 0.000 0.913 85 I CA 2.610 63.907 61.300 -0.005 0.000 1.228 85 I CB -1.898 36.093 38.000 -0.015 0.000 0.943 85 I HN 0.645 nan 8.210 nan 0.000 0.391 86 T N -0.675 113.874 114.554 -0.007 0.000 2.693 86 T HA -0.388 3.951 4.350 -0.019 0.000 0.263 86 T C 1.800 176.496 174.700 -0.007 0.000 1.046 86 T CA 2.340 64.434 62.100 -0.010 0.000 1.160 86 T CB -1.378 67.489 68.868 -0.003 0.000 0.853 86 T HN 0.619 nan 8.240 nan 0.000 0.462 87 A N 1.660 124.481 122.820 0.002 0.000 1.824 87 A HA 0.197 4.505 4.320 -0.019 0.000 0.215 87 A C 1.531 179.134 177.584 0.032 0.000 1.209 87 A CA 0.786 52.816 52.037 -0.010 0.000 0.614 87 A CB -1.178 17.799 19.000 -0.038 0.000 0.852 87 A HN 0.606 nan 8.150 nan 0.000 0.447 88 F N 0.795 120.653 119.950 -0.154 0.000 2.659 88 F HA 0.126 4.642 4.527 -0.019 0.000 0.356 88 F C 1.014 176.746 175.800 -0.113 0.000 1.273 88 F CA -0.769 57.105 58.000 -0.211 0.000 1.243 88 F CB 0.301 39.065 39.000 -0.393 0.000 1.683 88 F HN -0.003 nan 8.300 nan 0.000 0.679 89 V N 1.165 121.193 119.914 0.191 0.000 2.743 89 V HA -0.134 3.975 4.120 -0.019 0.000 0.237 89 V C 2.194 178.383 176.094 0.159 0.000 1.113 89 V CA 0.818 63.197 62.300 0.131 0.000 1.141 89 V CB -0.213 31.640 31.823 0.049 0.000 0.873 89 V HN 0.509 nan 8.190 nan 0.000 0.486 90 E N 2.005 122.297 120.200 0.153 0.000 2.130 90 E HA -0.223 4.115 4.350 -0.019 0.000 0.196 90 E C -0.596 176.077 176.600 0.122 0.000 0.998 90 E CA 2.057 58.538 56.400 0.136 0.000 0.806 90 E CB -1.926 27.860 29.700 0.143 0.000 0.738 90 E HN 0.561 nan 8.360 nan 0.000 0.459 91 P HA 0.067 nan 4.420 nan 0.000 0.239 91 P C 1.158 178.578 177.300 0.199 0.000 1.188 91 P CA 0.482 63.661 63.100 0.132 0.000 0.794 91 P CB -0.209 31.522 31.700 0.052 0.000 0.937 92 F N -0.579 119.389 119.950 0.029 0.000 2.619 92 F HA 0.006 4.521 4.527 -0.019 0.000 0.293 92 F C 2.236 178.061 175.800 0.042 0.000 1.119 92 F CA 0.403 58.430 58.000 0.045 0.000 1.445 92 F CB 0.083 39.108 39.000 0.043 0.000 1.119 92 F HN -0.334 nan 8.300 nan 0.000 0.573 93 V N 0.279 120.305 119.914 0.186 0.000 2.488 93 V HA -0.257 3.852 4.120 -0.019 0.000 0.246 93 V C 2.122 178.264 176.094 0.082 0.000 1.046 93 V CA 1.534 63.912 62.300 0.130 0.000 1.053 93 V CB -0.319 31.581 31.823 0.128 0.000 0.679 93 V HN 0.243 nan 8.190 nan 0.000 0.458 94 I N -0.404 120.205 120.570 0.066 0.000 2.202 94 I HA -0.246 3.913 4.170 -0.019 0.000 0.242 94 I C 2.376 178.498 176.117 0.009 0.000 1.091 94 I CA 1.646 62.971 61.300 0.041 0.000 1.368 94 I CB -0.287 37.737 38.000 0.040 0.000 1.058 94 I HN 0.270 nan 8.210 nan 0.000 0.410 95 L N 0.584 121.778 121.223 -0.050 0.000 2.201 95 L HA -0.189 4.140 4.340 -0.019 0.000 0.212 95 L C 2.411 179.232 176.870 -0.081 0.000 1.105 95 L CA 1.065 55.840 54.840 -0.108 0.000 0.775 95 L CB -0.042 41.850 42.059 -0.279 0.000 0.913 95 L HN 0.247 nan 8.230 nan 0.000 0.440 96 L N -0.565 120.623 121.223 -0.058 0.000 1.994 96 L HA -0.243 4.086 4.340 -0.019 0.000 0.208 96 L C 2.420 179.303 176.870 0.022 0.000 1.071 96 L CA 1.639 56.475 54.840 -0.007 0.000 0.745 96 L CB -0.194 41.892 42.059 0.045 0.000 0.892 96 L HN 0.196 nan 8.230 nan 0.000 0.431 97 I N -0.221 120.369 120.570 0.034 0.000 2.163 97 I HA -0.368 3.791 4.170 -0.019 0.000 0.243 97 I C 2.481 178.616 176.117 0.029 0.000 1.085 97 I CA 1.426 62.747 61.300 0.035 0.000 1.347 97 I CB -0.317 37.706 38.000 0.039 0.000 1.044 97 I HN 0.317 nan 8.210 nan 0.000 0.408 98 L N 0.259 121.509 121.223 0.045 0.000 2.012 98 L HA -0.266 4.063 4.340 -0.019 0.000 0.210 98 L C 2.579 179.502 176.870 0.088 0.000 1.073 98 L CA 1.698 56.577 54.840 0.065 0.000 0.748 98 L CB -0.595 41.572 42.059 0.181 0.000 0.891 98 L HN 0.289 nan 8.230 nan 0.000 0.431 99 I N 0.070 120.724 120.570 0.139 0.000 2.226 99 I HA -0.268 3.891 4.170 -0.019 0.000 0.245 99 I C 2.549 178.702 176.117 0.061 0.000 1.100 99 I CA 1.326 62.711 61.300 0.143 0.000 1.374 99 I CB -0.309 37.742 38.000 0.085 0.000 1.057 99 I HN 0.210 nan 8.210 nan 0.000 0.413 100 A N -0.239 122.602 122.820 0.034 0.000 2.206 100 A HA -0.080 4.229 4.320 -0.019 0.000 0.211 100 A C 1.866 179.453 177.584 0.004 0.000 1.158 100 A CA 0.932 52.980 52.037 0.018 0.000 0.761 100 A CB -0.624 18.387 19.000 0.020 0.000 0.801 100 A HN 0.488 nan 8.150 nan 0.000 0.473 101 N N -0.508 118.183 118.700 -0.015 0.000 2.439 101 N HA 0.066 4.795 4.740 -0.019 0.000 0.176 101 N C 2.023 177.486 175.510 -0.079 0.000 1.029 101 N CA 0.707 53.731 53.050 -0.042 0.000 0.886 101 N CB 0.031 38.487 38.487 -0.051 0.000 1.057 101 N HN 0.418 nan 8.380 nan 0.000 0.437 102 A N 1.989 124.727 122.820 -0.137 0.000 1.858 102 A HA -0.095 4.214 4.320 -0.019 0.000 0.216 102 A C 2.072 179.627 177.584 -0.048 0.000 1.190 102 A CA 0.918 52.844 52.037 -0.185 0.000 0.617 102 A CB -0.754 18.052 19.000 -0.324 0.000 0.827 102 A HN 0.192 nan 8.150 nan 0.000 0.443 103 I N -0.120 120.453 120.570 0.004 0.000 2.315 103 I HA -0.219 3.940 4.170 -0.019 0.000 0.251 103 I C 2.000 178.156 176.117 0.065 0.000 1.125 103 I CA 1.153 62.482 61.300 0.047 0.000 1.392 103 I CB -0.041 37.980 38.000 0.034 0.000 1.065 103 I HN 0.158 nan 8.210 nan 0.000 0.424 104 V N 0.474 120.409 119.914 0.036 0.000 3.380 104 V HA -0.074 4.035 4.120 -0.019 0.000 0.268 104 V C 1.962 178.080 176.094 0.041 0.000 1.168 104 V CA 1.453 63.781 62.300 0.046 0.000 1.156 104 V CB -0.383 31.454 31.823 0.025 0.000 0.785 104 V HN 0.549 nan 8.190 nan 0.000 0.487 105 G N -1.148 107.666 108.800 0.023 0.000 3.383 105 G HA2 0.286 4.235 3.960 -0.019 0.000 0.251 105 G HA3 0.286 4.235 3.960 -0.019 0.000 0.251 105 G C 0.702 175.623 174.900 0.036 0.000 1.203 105 G CA 0.741 45.849 45.100 0.014 0.000 0.852 105 G HN 0.354 nan 8.290 nan 0.000 0.531 106 V N -2.244 117.719 119.914 0.082 0.000 4.763 106 V HA 0.237 4.346 4.120 -0.019 0.000 0.146 106 V C 1.365 177.545 176.094 0.144 0.000 1.198 106 V CA -0.144 62.226 62.300 0.116 0.000 1.220 106 V CB -0.441 31.494 31.823 0.188 0.000 1.571 106 V HN 0.338 nan 8.190 nan 0.000 0.595 107 W N 1.462 122.767 121.300 0.008 0.000 2.961 107 W HA 0.142 4.790 4.660 -0.019 0.000 0.240 107 W C 1.812 178.335 176.519 0.007 0.000 1.305 107 W CA 1.031 58.382 57.345 0.011 0.000 1.465 107 W CB 0.107 29.579 29.460 0.020 0.000 1.135 107 W HN 0.371 nan 8.180 nan 0.000 0.688 108 Q N -0.821 119.065 119.800 0.145 0.000 2.064 108 Q HA 0.049 4.378 4.340 -0.019 0.000 0.213 108 Q C 0.151 176.168 176.000 0.028 0.000 0.779 108 Q CA 0.097 55.941 55.803 0.068 0.000 1.032 108 Q CB 0.846 29.632 28.738 0.080 0.000 1.203 108 Q HN -0.029 nan 8.270 nan 0.000 0.457 109 E N 1.313 121.526 120.200 0.021 0.000 3.312 109 E HA 0.166 4.505 4.350 -0.019 0.000 0.215 109 E C -0.884 175.697 176.600 -0.030 0.000 1.160 109 E CA -0.504 55.896 56.400 -0.000 0.000 1.267 109 E CB 0.424 30.130 29.700 0.011 0.000 1.361 109 E HN 0.095 nan 8.360 nan 0.000 0.433 110 R N 1.505 121.970 120.500 -0.058 0.000 2.730 110 R HA -0.094 4.235 4.340 -0.019 0.000 0.327 110 R C 0.359 176.615 176.300 -0.074 0.000 0.825 110 R CA 0.591 56.635 56.100 -0.094 0.000 1.130 110 R CB -0.259 29.983 30.300 -0.096 0.000 0.883 110 R HN 0.180 nan 8.270 nan 0.000 0.407 111 N N 1.869 120.519 118.700 -0.083 0.000 2.571 111 N HA 0.168 4.896 4.740 -0.019 0.000 0.298 111 N C -0.363 175.102 175.510 -0.076 0.000 1.671 111 N CA 0.177 53.188 53.050 -0.065 0.000 0.900 111 N CB 1.554 40.012 38.487 -0.048 0.000 1.365 111 N HN 0.524 nan 8.380 nan 0.000 0.493 112 A N 1.109 123.874 122.820 -0.091 0.000 2.930 112 A HA 0.221 4.529 4.320 -0.019 0.000 0.213 112 A C 0.278 177.818 177.584 -0.073 0.000 2.276 112 A CA 0.252 52.233 52.037 -0.093 0.000 1.182 112 A CB -0.514 18.411 19.000 -0.125 0.000 1.301 112 A HN 0.259 nan 8.150 nan 0.000 0.481 113 E N 1.745 121.901 120.200 -0.073 0.000 2.384 113 E HA 0.356 4.694 4.350 -0.019 0.000 0.266 113 E C -0.605 175.966 176.600 -0.048 0.000 1.012 113 E CA 0.080 56.445 56.400 -0.058 0.000 0.901 113 E CB -0.340 29.325 29.700 -0.058 0.000 0.967 113 E HN 0.655 nan 8.360 nan 0.000 0.435 114 N N 0.756 119.432 118.700 -0.040 0.000 2.272 114 N HA 0.512 5.241 4.740 -0.019 0.000 0.305 114 N C 0.046 175.540 175.510 -0.026 0.000 1.103 114 N CA -0.854 52.176 53.050 -0.033 0.000 0.791 114 N CB 1.858 40.327 38.487 -0.031 0.000 1.356 114 N HN 0.458 nan 8.380 nan 0.000 0.486 115 A N 1.207 124.014 122.820 -0.021 0.000 2.131 115 A HA -0.086 4.222 4.320 -0.019 0.000 0.220 115 A C 1.602 179.181 177.584 -0.008 0.000 1.158 115 A CA 0.844 52.873 52.037 -0.013 0.000 0.665 115 A CB -0.847 18.147 19.000 -0.011 0.000 0.795 115 A HN 0.790 nan 8.150 nan 0.000 0.460 116 I N -0.970 119.593 120.570 -0.012 0.000 2.500 116 I HA -0.095 4.063 4.170 -0.019 0.000 0.252 116 I C 2.074 178.186 176.117 -0.008 0.000 1.142 116 I CA 0.703 61.998 61.300 -0.008 0.000 1.451 116 I CB -0.235 37.758 38.000 -0.011 0.000 1.093 116 I HN 0.224 nan 8.210 nan 0.000 0.430 117 E N 1.145 121.335 120.200 -0.016 0.000 2.216 117 E HA -0.050 4.289 4.350 -0.019 0.000 0.192 117 E C 2.255 178.841 176.600 -0.023 0.000 0.988 117 E CA 0.948 57.336 56.400 -0.020 0.000 0.834 117 E CB -0.010 29.673 29.700 -0.028 0.000 0.772 117 E HN 0.419 nan 8.360 nan 0.000 0.479 118 A N 0.982 123.790 122.820 -0.021 0.000 1.969 118 A HA -0.068 4.241 4.320 -0.019 0.000 0.218 118 A C 2.097 179.673 177.584 -0.014 0.000 1.169 118 A CA 0.584 52.605 52.037 -0.027 0.000 0.635 118 A CB -0.516 18.474 19.000 -0.016 0.000 0.810 118 A HN 0.190 nan 8.150 nan 0.000 0.445 119 L N -1.149 120.082 121.223 0.013 0.000 2.700 119 L HA -0.010 4.319 4.340 -0.019 0.000 0.240 119 L C 1.257 178.148 176.870 0.034 0.000 1.162 119 L CA 0.724 55.591 54.840 0.045 0.000 0.874 119 L CB -0.253 41.831 42.059 0.041 0.000 1.001 119 L HN 0.276 nan 8.230 nan 0.000 0.447 120 K N -0.110 120.289 120.400 -0.002 0.000 2.576 120 K HA 0.126 4.435 4.320 -0.019 0.000 0.209 120 K C 0.656 177.226 176.600 -0.049 0.000 1.049 120 K CA 0.003 56.284 56.287 -0.010 0.000 1.140 120 K CB 0.410 32.903 32.500 -0.013 0.000 0.871 120 K HN 0.215 nan 8.250 nan 0.000 0.479 121 E N -1.088 119.053 120.200 -0.098 0.000 2.601 121 E HA 0.071 4.410 4.350 -0.019 0.000 0.219 121 E C -0.053 176.325 176.600 -0.370 0.000 0.964 121 E CA 0.113 56.370 56.400 -0.238 0.000 1.050 121 E CB 0.645 30.148 29.700 -0.329 0.000 1.068 121 E HN 0.308 nan 8.360 nan 0.000 0.496 122 Y N 1.104 121.408 120.300 0.007 0.000 2.626 122 Y HA 0.125 4.663 4.550 -0.019 0.000 0.248 122 Y C 0.093 176.003 175.900 0.017 0.000 1.147 122 Y CA -0.569 57.538 58.100 0.012 0.000 1.219 122 Y CB 0.920 39.388 38.460 0.012 0.000 1.279 122 Y HN -0.019 nan 8.280 nan 0.000 0.541 123 E N 2.129 122.408 120.200 0.132 0.000 2.174 123 E HA 0.349 4.687 4.350 -0.019 0.000 0.282 123 E C -2.767 173.873 176.600 0.066 0.000 0.992 123 E CA -2.209 54.246 56.400 0.092 0.000 0.803 123 E CB 1.202 30.942 29.700 0.066 0.000 1.090 123 E HN -0.035 nan 8.360 nan 0.000 0.396 124 P HA 0.091 nan 4.420 nan 0.000 0.279 124 P C -0.129 177.192 177.300 0.034 0.000 1.276 124 P CA -0.369 62.762 63.100 0.052 0.000 0.801 124 P CB 1.478 33.212 31.700 0.056 0.000 1.127 125 E N -0.875 119.341 120.200 0.026 0.000 2.079 125 E HA 0.076 4.415 4.350 -0.019 0.000 0.191 125 E C 0.229 176.842 176.600 0.020 0.000 0.961 125 E CA 0.542 56.953 56.400 0.018 0.000 0.823 125 E CB 0.119 29.825 29.700 0.011 0.000 0.789 125 E HN 0.286 nan 8.360 nan 0.000 0.459 126 M N 0.418 120.031 119.600 0.021 0.000 2.508 126 M HA 0.498 4.967 4.480 -0.019 0.000 0.327 126 M C -0.042 176.272 176.300 0.024 0.000 1.160 126 M CA -0.540 54.772 55.300 0.020 0.000 0.980 126 M CB 1.505 34.113 32.600 0.014 0.000 1.693 126 M HN 0.141 nan 8.290 nan 0.000 0.452 127 G N 1.792 110.607 108.800 0.024 0.000 2.719 127 G HA2 0.627 4.576 3.960 -0.019 0.000 0.298 127 G HA3 0.627 4.576 3.960 -0.019 0.000 0.298 127 G C -1.506 173.410 174.900 0.028 0.000 1.411 127 G CA -0.754 44.363 45.100 0.029 0.000 0.991 127 G HN 0.563 nan 8.290 nan 0.000 0.509 128 K N 0.872 121.295 120.400 0.039 0.000 2.281 128 K HA 0.544 4.853 4.320 -0.019 0.000 0.272 128 K C 0.177 176.834 176.600 0.094 0.000 1.048 128 K CA -0.622 55.692 56.287 0.045 0.000 0.898 128 K CB 1.945 34.478 32.500 0.055 0.000 1.128 128 K HN 0.536 nan 8.250 nan 0.000 0.460 129 V N 0.037 119.990 119.914 0.066 0.000 2.919 129 V HA 0.536 4.644 4.120 -0.019 0.000 0.316 129 V C -1.087 175.086 176.094 0.132 0.000 1.077 129 V CA -0.895 61.485 62.300 0.133 0.000 0.977 129 V CB 1.069 32.933 31.823 0.068 0.000 1.039 129 V HN 0.661 nan 8.190 nan 0.000 0.441 130 Y N 1.935 122.227 120.300 -0.013 0.000 2.575 130 Y HA 0.634 5.173 4.550 -0.019 0.000 0.326 130 Y C 0.698 176.590 175.900 -0.013 0.000 0.979 130 Y CA -0.651 57.442 58.100 -0.011 0.000 1.286 130 Y CB 1.334 39.788 38.460 -0.010 0.000 1.093 130 Y HN 0.606 nan 8.280 nan 0.000 0.501 131 R N 0.519 121.065 120.500 0.077 0.000 2.608 131 R HA 0.596 4.925 4.340 -0.019 0.000 0.255 131 R C 0.960 177.282 176.300 0.037 0.000 1.086 131 R CA -0.054 56.073 56.100 0.045 0.000 1.125 131 R CB 0.841 31.150 30.300 0.015 0.000 1.193 131 R HN 0.711 nan 8.270 nan 0.000 0.553 132 A N 0.807 123.641 122.820 0.022 0.000 1.968 132 A HA -0.147 4.162 4.320 -0.019 0.000 0.217 132 A C 1.161 178.750 177.584 0.008 0.000 1.169 132 A CA 1.764 53.811 52.037 0.018 0.000 0.638 132 A CB -0.646 18.359 19.000 0.009 0.000 0.812 132 A HN 0.889 nan 8.150 nan 0.000 0.446 133 D N -1.633 118.767 120.400 0.000 0.000 2.332 133 D HA 0.073 4.702 4.640 -0.019 0.000 0.244 133 D C 0.953 177.246 176.300 -0.011 0.000 1.136 133 D CA 0.081 54.078 54.000 -0.005 0.000 0.884 133 D CB 0.259 41.055 40.800 -0.007 0.000 0.906 133 D HN 0.173 nan 8.370 nan 0.000 0.520 134 R N -0.705 119.788 120.500 -0.013 0.000 3.467 134 R HA 0.465 4.794 4.340 -0.019 0.000 0.202 134 R C 0.263 176.555 176.300 -0.014 0.000 1.167 134 R CA -0.547 55.538 56.100 -0.024 0.000 0.808 134 R CB -0.301 29.968 30.300 -0.052 0.000 1.357 134 R HN 0.058 nan 8.270 nan 0.000 0.429 135 K N -0.188 120.194 120.400 -0.031 0.000 2.563 135 K HA 0.119 4.428 4.320 -0.019 0.000 0.189 135 K C -0.139 176.435 176.600 -0.044 0.000 1.803 135 K CA 0.553 56.837 56.287 -0.004 0.000 1.139 135 K CB 0.179 32.682 32.500 0.005 0.000 1.648 135 K HN 0.504 nan 8.250 nan 0.000 0.583 136 S N -0.318 115.310 115.700 -0.121 0.000 2.707 136 S HA 0.313 4.771 4.470 -0.019 0.000 0.276 136 S C 0.096 174.395 174.600 -0.501 0.000 1.179 136 S CA -0.322 57.748 58.200 -0.217 0.000 0.992 136 S CB 1.532 64.648 63.200 -0.139 0.000 1.030 136 S HN 0.203 nan 8.310 nan 0.000 0.554 137 V N 3.073 122.612 119.914 -0.624 0.000 2.149 137 V HA 0.177 4.286 4.120 -0.019 0.000 0.245 137 V C 0.342 176.210 176.094 -0.376 0.000 1.349 137 V CA -0.492 61.288 62.300 -0.866 0.000 1.289 137 V CB -1.335 30.163 31.823 -0.540 0.000 1.401 137 V HN 0.854 nan 8.190 nan 0.000 0.501 138 Q N 5.635 125.252 119.800 -0.304 0.000 2.257 138 Q HA 0.109 4.438 4.340 -0.019 0.000 0.273 138 Q C 0.166 176.112 176.000 -0.089 0.000 1.153 138 Q CA -0.144 55.571 55.803 -0.147 0.000 0.922 138 Q CB -0.135 28.540 28.738 -0.105 0.000 1.242 138 Q HN 0.843 nan 8.270 nan 0.000 0.409 139 R N 3.171 123.633 120.500 -0.062 0.000 2.351 139 R HA 0.419 4.748 4.340 -0.019 0.000 0.318 139 R C -0.054 176.238 176.300 -0.014 0.000 1.055 139 R CA -0.243 55.840 56.100 -0.027 0.000 0.968 139 R CB -0.101 30.188 30.300 -0.019 0.000 0.974 139 R HN 0.710 nan 8.270 nan 0.000 0.439 140 I N -2.134 118.436 120.570 -0.000 0.000 3.067 140 I HA 0.461 4.620 4.170 -0.019 0.000 0.312 140 I C -0.475 175.652 176.117 0.017 0.000 1.073 140 I CA -1.750 59.555 61.300 0.009 0.000 1.016 140 I CB 1.870 39.880 38.000 0.016 0.000 1.227 140 I HN 0.405 nan 8.210 nan 0.000 0.456 141 K N 2.309 122.720 120.400 0.020 0.000 2.453 141 K HA 0.130 4.439 4.320 -0.019 0.000 0.280 141 K C 1.147 177.768 176.600 0.035 0.000 1.045 141 K CA 0.501 56.801 56.287 0.022 0.000 1.059 141 K CB 1.093 33.602 32.500 0.016 0.000 0.901 141 K HN 0.794 nan 8.250 nan 0.000 0.475 142 A N 4.278 127.118 122.820 0.034 0.000 1.940 142 A HA -0.270 4.039 4.320 -0.019 0.000 0.221 142 A C 2.035 179.654 177.584 0.059 0.000 1.190 142 A CA 1.784 53.846 52.037 0.042 0.000 0.647 142 A CB -0.413 18.611 19.000 0.040 0.000 0.821 142 A HN 0.865 nan 8.150 nan 0.000 0.457 143 R N -0.669 119.865 120.500 0.056 0.000 2.303 143 R HA -0.148 4.181 4.340 -0.019 0.000 0.225 143 R C 0.220 176.625 176.300 0.175 0.000 1.114 143 R CA 1.534 57.681 56.100 0.079 0.000 1.007 143 R CB -0.190 30.116 30.300 0.009 0.000 0.861 143 R HN 0.545 nan 8.270 nan 0.000 0.471 144 D N -0.351 120.135 120.400 0.144 0.000 2.433 144 D HA 0.113 4.742 4.640 -0.019 0.000 0.211 144 D C 0.344 176.712 176.300 0.112 0.000 1.114 144 D CA -0.029 54.080 54.000 0.181 0.000 0.837 144 D CB 0.496 41.375 40.800 0.131 0.000 0.984 144 D HN 0.202 nan 8.370 nan 0.000 0.505 145 I N 1.713 122.334 120.570 0.085 0.000 2.696 145 I HA 0.042 4.201 4.170 -0.019 0.000 0.284 145 I C 0.469 176.618 176.117 0.053 0.000 1.129 145 I CA -0.262 61.070 61.300 0.054 0.000 1.410 145 I CB 1.080 39.101 38.000 0.036 0.000 1.399 145 I HN -0.246 nan 8.210 nan 0.000 0.579 146 V N 2.867 122.804 119.914 0.037 0.000 3.007 146 V HA 0.521 4.630 4.120 -0.019 0.000 0.311 146 V C -2.795 173.282 176.094 -0.028 0.000 1.120 146 V CA -2.778 59.556 62.300 0.057 0.000 0.980 146 V CB 1.488 33.400 31.823 0.149 0.000 1.033 146 V HN 0.449 nan 8.190 nan 0.000 0.429 147 P HA 0.335 nan 4.420 nan 0.000 0.260 147 P C 0.987 177.928 177.300 -0.598 0.000 1.185 147 P CA 2.027 64.904 63.100 -0.371 0.000 0.763 147 P CB 0.559 31.896 31.700 -0.605 0.000 0.776 148 G N 2.696 110.874 108.800 -1.035 0.000 2.436 148 G HA2 -0.162 3.786 3.960 -0.019 0.000 0.204 148 G HA3 -0.162 3.786 3.960 -0.019 0.000 0.204 148 G C -0.193 174.464 174.900 -0.405 0.000 1.026 148 G CA -0.052 44.302 45.100 -1.243 0.000 0.658 148 G HN 0.665 nan 8.290 nan 0.000 0.499 149 D N 1.859 122.138 120.400 -0.202 0.000 2.382 149 D HA 0.465 5.094 4.640 -0.019 0.000 0.245 149 D C 0.430 176.689 176.300 -0.068 0.000 1.120 149 D CA -0.522 53.429 54.000 -0.081 0.000 0.890 149 D CB 1.006 41.793 40.800 -0.022 0.000 1.201 149 D HN 0.179 nan 8.370 nan 0.000 0.433 150 I N 1.196 121.753 120.570 -0.022 0.000 2.692 150 I HA 0.101 4.260 4.170 -0.019 0.000 0.284 150 I C 0.260 176.394 176.117 0.028 0.000 1.159 150 I CA -0.085 61.202 61.300 -0.022 0.000 1.423 150 I CB 1.068 39.045 38.000 -0.039 0.000 1.380 150 I HN 0.352 nan 8.210 nan 0.000 0.580 151 V N 2.818 122.729 119.914 -0.005 0.000 2.925 151 V HA 0.625 4.734 4.120 -0.019 0.000 0.311 151 V C -0.598 175.508 176.094 0.021 0.000 1.104 151 V CA -0.894 61.429 62.300 0.039 0.000 0.954 151 V CB 1.805 33.633 31.823 0.009 0.000 1.022 151 V HN 0.700 nan 8.190 nan 0.000 0.427 152 E N 1.651 121.907 120.200 0.094 0.000 2.171 152 E HA 0.700 5.039 4.350 -0.019 0.000 0.271 152 E C -1.283 175.349 176.600 0.054 0.000 0.916 152 E CA -0.639 55.810 56.400 0.082 0.000 0.774 152 E CB 2.248 32.089 29.700 0.235 0.000 1.128 152 E HN 0.946 nan 8.360 nan 0.000 0.403 153 V N 0.206 120.133 119.914 0.021 0.000 2.735 153 V HA 0.999 5.107 4.120 -0.019 0.000 0.310 153 V C -0.693 175.407 176.094 0.011 0.000 1.061 153 V CA -0.665 61.643 62.300 0.014 0.000 0.913 153 V CB 1.380 33.200 31.823 -0.005 0.000 1.005 153 V HN 0.718 nan 8.190 nan 0.000 0.428 154 A N 2.800 125.629 122.820 0.015 0.000 2.566 154 A HA 0.834 5.143 4.320 -0.019 0.000 0.292 154 A C -0.295 177.295 177.584 0.010 0.000 1.112 154 A CA -0.429 51.615 52.037 0.012 0.000 0.707 154 A CB 1.799 20.811 19.000 0.020 0.000 1.302 154 A HN 2.147 nan 8.150 nan 0.000 0.409 155 V N 1.361 121.280 119.914 0.008 0.000 2.678 155 V HA 0.340 4.449 4.120 -0.019 0.000 0.304 155 V C 1.371 177.472 176.094 0.012 0.000 1.086 155 V CA 2.750 65.055 62.300 0.008 0.000 1.246 155 V CB 0.106 31.934 31.823 0.008 0.000 0.861 155 V HN 2.682 nan 8.190 nan 0.000 0.491 156 G N 4.255 113.063 108.800 0.013 0.000 2.232 156 G HA2 -0.190 3.759 3.960 -0.019 0.000 0.226 156 G HA3 -0.190 3.759 3.960 -0.019 0.000 0.226 156 G C 0.000 174.914 174.900 0.023 0.000 0.996 156 G CA 0.141 45.251 45.100 0.018 0.000 0.626 156 G HN 0.784 nan 8.290 nan 0.000 0.509 157 D N 0.955 121.367 120.400 0.020 0.000 2.382 157 D HA 0.392 5.021 4.640 -0.019 0.000 0.240 157 D C 0.568 176.885 176.300 0.029 0.000 1.146 157 D CA 0.273 54.287 54.000 0.024 0.000 0.897 157 D CB 1.077 41.889 40.800 0.021 0.000 1.197 157 D HN 0.483 nan 8.370 nan 0.000 0.432 158 K N 1.194 121.618 120.400 0.040 0.000 2.227 158 K HA 0.266 4.574 4.320 -0.019 0.000 0.280 158 K C -0.817 175.806 176.600 0.038 0.000 1.041 158 K CA -0.689 55.628 56.287 0.050 0.000 0.905 158 K CB 0.814 33.362 32.500 0.082 0.000 1.068 158 K HN 0.090 nan 8.250 nan 0.000 0.470 159 V N 7.728 127.658 119.914 0.027 0.000 2.529 159 V HA 0.025 4.134 4.120 -0.019 0.000 0.292 159 V C -1.279 174.835 176.094 0.033 0.000 1.028 159 V CA -1.035 61.276 62.300 0.017 0.000 1.074 159 V CB 0.969 32.793 31.823 0.002 0.000 0.958 159 V HN 0.890 nan 8.190 nan 0.000 0.481 160 P HA 0.127 nan 4.420 nan 0.000 0.221 160 P C 0.236 177.558 177.300 0.037 0.000 1.155 160 P CA 1.072 64.193 63.100 0.036 0.000 0.812 160 P CB 0.702 32.420 31.700 0.030 0.000 0.801 161 A N -0.919 121.916 122.820 0.025 0.000 2.529 161 A HA 0.541 4.850 4.320 -0.019 0.000 0.296 161 A C -1.522 176.075 177.584 0.023 0.000 1.205 161 A CA -0.509 51.543 52.037 0.025 0.000 0.671 161 A CB 0.150 19.154 19.000 0.006 0.000 1.301 161 A HN -0.223 nan 8.150 nan 0.000 0.450 162 D N 0.722 121.139 120.400 0.029 0.000 2.295 162 D HA 0.573 5.202 4.640 -0.019 0.000 0.248 162 D C -0.907 175.383 176.300 -0.017 0.000 1.154 162 D CA 0.761 54.783 54.000 0.035 0.000 0.857 162 D CB 0.588 41.445 40.800 0.095 0.000 1.117 162 D HN 0.361 nan 8.370 nan 0.000 0.468 163 I N 2.464 122.996 120.570 -0.063 0.000 2.466 163 I HA 0.210 4.369 4.170 -0.019 0.000 0.289 163 I C 0.156 176.220 176.117 -0.088 0.000 1.026 163 I CA -0.925 60.331 61.300 -0.073 0.000 1.078 163 I CB 1.741 39.697 38.000 -0.073 0.000 1.249 163 I HN -0.074 nan 8.210 nan 0.000 0.429 164 R N 6.788 127.257 120.500 -0.050 0.000 2.248 164 R HA 0.412 4.741 4.340 -0.019 0.000 0.328 164 R C -0.481 175.792 176.300 -0.045 0.000 1.067 164 R CA -0.435 55.642 56.100 -0.037 0.000 0.924 164 R CB 0.229 30.528 30.300 -0.001 0.000 1.013 164 R HN 0.593 nan 8.270 nan 0.000 0.454 165 I N 5.787 126.322 120.570 -0.057 0.000 2.710 165 I HA -0.171 3.988 4.170 -0.019 0.000 0.286 165 I C 1.520 177.616 176.117 -0.036 0.000 1.181 165 I CA 0.253 61.520 61.300 -0.054 0.000 1.430 165 I CB 0.705 38.668 38.000 -0.061 0.000 1.367 165 I HN 0.524 nan 8.210 nan 0.000 0.577 166 L N 4.409 125.607 121.223 -0.042 0.000 2.347 166 L HA 0.141 4.470 4.340 -0.019 0.000 0.196 166 L C 0.569 177.419 176.870 -0.034 0.000 1.072 166 L CA 0.465 55.284 54.840 -0.036 0.000 0.817 166 L CB 0.113 42.144 42.059 -0.048 0.000 1.029 166 L HN 0.771 nan 8.230 nan 0.000 0.478 167 S N -0.594 115.079 115.700 -0.044 0.000 2.537 167 S HA 0.554 5.013 4.470 -0.019 0.000 0.270 167 S C -0.926 173.652 174.600 -0.038 0.000 1.142 167 S CA -0.786 57.393 58.200 -0.035 0.000 0.870 167 S CB 1.538 64.716 63.200 -0.037 0.000 1.112 167 S HN 0.101 nan 8.310 nan 0.000 0.466 168 I N 3.298 123.853 120.570 -0.026 0.000 2.297 168 I HA 0.395 4.554 4.170 -0.019 0.000 0.291 168 I C 0.964 177.069 176.117 -0.020 0.000 1.033 168 I CA -0.794 60.490 61.300 -0.026 0.000 1.253 168 I CB 1.030 39.016 38.000 -0.023 0.000 1.396 168 I HN 0.575 nan 8.210 nan 0.000 0.476 169 K N 3.224 123.610 120.400 -0.023 0.000 2.137 169 K HA 0.054 4.363 4.320 -0.019 0.000 0.202 169 K C 1.027 177.622 176.600 -0.009 0.000 1.052 169 K CA 0.573 56.849 56.287 -0.018 0.000 0.961 169 K CB -0.223 32.266 32.500 -0.019 0.000 0.741 169 K HN 0.721 nan 8.250 nan 0.000 0.452 170 S N 0.418 116.113 115.700 -0.008 0.000 2.641 170 S HA 0.095 4.554 4.470 -0.019 0.000 0.261 170 S C 1.425 176.024 174.600 -0.001 0.000 1.257 170 S CA -0.248 57.950 58.200 -0.003 0.000 0.983 170 S CB 0.435 63.634 63.200 -0.003 0.000 0.990 170 S HN 0.173 nan 8.310 nan 0.000 0.572 171 T N 1.119 115.675 114.554 0.004 0.000 2.607 171 T HA -0.011 4.328 4.350 -0.019 0.000 0.267 171 T C 1.186 175.893 174.700 0.012 0.000 1.049 171 T CA 1.788 63.894 62.100 0.009 0.000 1.162 171 T CB -0.904 67.973 68.868 0.015 0.000 0.863 171 T HN 1.017 nan 8.240 nan 0.000 0.424 172 T N -1.399 113.159 114.554 0.007 0.000 2.716 172 T HA 0.682 5.021 4.350 -0.019 0.000 0.286 172 T C -1.752 172.934 174.700 -0.024 0.000 1.052 172 T CA -1.076 61.022 62.100 -0.004 0.000 1.024 172 T CB 1.759 70.633 68.868 0.011 0.000 1.349 172 T HN 0.109 nan 8.240 nan 0.000 0.525 173 L N -0.026 121.165 121.223 -0.054 0.000 2.436 173 L HA 0.730 5.059 4.340 -0.019 0.000 0.268 173 L C -1.018 175.817 176.870 -0.059 0.000 0.974 173 L CA -0.557 54.250 54.840 -0.056 0.000 0.826 173 L CB 1.949 43.965 42.059 -0.073 0.000 1.291 173 L HN 0.792 nan 8.230 nan 0.000 0.406 174 R N 4.235 124.714 120.500 -0.036 0.000 2.468 174 R HA 0.652 4.980 4.340 -0.019 0.000 0.302 174 R C -1.145 175.143 176.300 -0.020 0.000 1.041 174 R CA -0.656 55.429 56.100 -0.024 0.000 0.899 174 R CB 1.812 32.108 30.300 -0.006 0.000 1.167 174 R HN 0.476 nan 8.270 nan 0.000 0.483 175 V N 0.959 120.859 119.914 -0.024 0.000 3.134 175 V HA 0.258 4.367 4.120 -0.019 0.000 0.313 175 V C 0.114 176.206 176.094 -0.003 0.000 1.069 175 V CA -0.471 61.817 62.300 -0.019 0.000 1.048 175 V CB 1.668 33.472 31.823 -0.032 0.000 1.119 175 V HN 0.645 nan 8.190 nan 0.000 0.461 176 D N 0.347 120.746 120.400 -0.002 0.000 2.443 176 D HA 0.214 4.843 4.640 -0.019 0.000 0.281 176 D C 0.539 176.833 176.300 -0.010 0.000 1.210 176 D CA -0.435 53.563 54.000 -0.004 0.000 0.875 176 D CB 0.644 41.438 40.800 -0.010 0.000 1.125 176 D HN 0.584 nan 8.370 nan 0.000 0.503 177 Q N 1.213 121.023 119.800 0.016 0.000 2.259 177 Q HA 0.112 4.441 4.340 -0.019 0.000 0.228 177 Q C 0.803 176.786 176.000 -0.029 0.000 0.909 177 Q CA -0.186 55.629 55.803 0.020 0.000 0.948 177 Q CB 0.257 29.066 28.738 0.118 0.000 1.041 177 Q HN 0.171 nan 8.270 nan 0.000 0.445 178 S N 1.754 117.426 115.700 -0.047 0.000 2.380 178 S HA -0.221 4.237 4.470 -0.019 0.000 0.229 178 S C 1.927 176.473 174.600 -0.091 0.000 1.043 178 S CA 1.954 60.120 58.200 -0.057 0.000 1.038 178 S CB -0.467 62.703 63.200 -0.051 0.000 0.872 178 S HN 0.731 nan 8.310 nan 0.000 0.456 179 I N 0.320 120.784 120.570 -0.177 0.000 2.118 179 I HA -0.232 3.926 4.170 -0.019 0.000 0.241 179 I C 2.032 178.075 176.117 -0.124 0.000 1.070 179 I CA 1.591 62.751 61.300 -0.234 0.000 1.327 179 I CB -0.850 36.860 38.000 -0.483 0.000 1.034 179 I HN 0.179 nan 8.210 nan 0.000 0.405 180 L N 0.920 122.075 121.223 -0.113 0.000 1.973 180 L HA -0.118 4.211 4.340 -0.019 0.000 0.208 180 L C 2.973 179.801 176.870 -0.070 0.000 1.073 180 L CA 2.220 57.002 54.840 -0.098 0.000 0.746 180 L CB -1.490 40.493 42.059 -0.127 0.000 0.891 180 L HN 0.534 nan 8.230 nan 0.000 0.433 181 T N -2.804 111.718 114.554 -0.054 0.000 2.673 181 T HA 0.224 4.563 4.350 -0.019 0.000 0.248 181 T C 1.465 176.149 174.700 -0.026 0.000 1.080 181 T CA 0.909 62.988 62.100 -0.034 0.000 1.203 181 T CB -0.212 68.644 68.868 -0.020 0.000 0.893 181 T HN 0.478 nan 8.240 nan 0.000 0.404 182 G N 1.441 110.227 108.800 -0.023 0.000 2.370 182 G HA2 -0.085 3.864 3.960 -0.019 0.000 0.174 182 G HA3 -0.085 3.864 3.960 -0.019 0.000 0.174 182 G C -0.093 174.802 174.900 -0.009 0.000 1.002 182 G CA 0.088 45.180 45.100 -0.014 0.000 0.730 182 G HN 0.909 nan 8.290 nan 0.000 0.497 183 E N 1.059 121.253 120.200 -0.010 0.000 2.069 183 E HA 0.569 4.908 4.350 -0.019 0.000 0.254 183 E C 1.321 177.918 176.600 -0.006 0.000 1.088 183 E CA 0.424 56.819 56.400 -0.007 0.000 1.017 183 E CB 1.096 30.791 29.700 -0.009 0.000 1.226 183 E HN 0.457 nan 8.360 nan 0.000 0.458 184 S N 2.386 118.083 115.700 -0.006 0.000 2.724 184 S HA -0.316 4.143 4.470 -0.019 0.000 0.348 184 S C 0.957 175.555 174.600 -0.002 0.000 1.374 184 S CA 1.765 59.963 58.200 -0.005 0.000 1.101 184 S CB -0.735 62.462 63.200 -0.005 0.000 1.222 184 S HN 0.471 nan 8.310 nan 0.000 0.442 185 V N 3.379 123.291 119.914 -0.002 0.000 2.599 185 V HA 0.256 4.365 4.120 -0.019 0.000 0.300 185 V C 0.967 177.068 176.094 0.011 0.000 1.034 185 V CA 0.282 62.584 62.300 0.003 0.000 1.115 185 V CB 0.455 32.280 31.823 0.002 0.000 0.934 185 V HN 0.775 nan 8.190 nan 0.000 0.485 186 S N 5.460 121.169 115.700 0.014 0.000 2.608 186 S HA 0.531 4.989 4.470 -0.019 0.000 0.261 186 S C -0.312 174.304 174.600 0.027 0.000 1.314 186 S CA -0.460 57.749 58.200 0.016 0.000 0.992 186 S CB 1.508 64.715 63.200 0.012 0.000 0.935 186 S HN 1.091 nan 8.310 nan 0.000 0.564 187 V N -0.363 119.567 119.914 0.026 0.000 2.604 187 V HA 0.653 4.762 4.120 -0.019 0.000 0.305 187 V C -0.353 175.747 176.094 0.011 0.000 1.043 187 V CA -1.163 61.160 62.300 0.038 0.000 0.888 187 V CB 0.746 32.601 31.823 0.054 0.000 0.995 187 V HN 0.839 nan 8.190 nan 0.000 0.429 188 I N 4.207 124.788 120.570 0.018 0.000 2.638 188 I HA 0.409 4.567 4.170 -0.019 0.000 0.286 188 I C 0.618 176.649 176.117 -0.142 0.000 1.088 188 I CA 0.547 61.812 61.300 -0.057 0.000 1.397 188 I CB 0.555 38.548 38.000 -0.011 0.000 1.414 188 I HN 0.631 nan 8.210 nan 0.000 0.566 189 K N 4.681 124.917 120.400 -0.273 0.000 2.352 189 K HA 0.631 4.940 4.320 -0.019 0.000 0.240 189 K C -0.715 175.546 176.600 -0.565 0.000 1.017 189 K CA -0.816 55.303 56.287 -0.279 0.000 0.851 189 K CB 1.831 34.237 32.500 -0.157 0.000 1.261 189 K HN 0.552 nan 8.250 nan 0.000 0.451 190 H N -1.073 117.985 119.070 -0.020 0.000 2.942 190 H HA 0.209 4.754 4.556 -0.019 0.000 0.316 190 H C 0.363 175.670 175.328 -0.035 0.000 1.323 190 H CA -0.265 55.768 56.048 -0.025 0.000 1.144 190 H CB 1.745 31.480 29.762 -0.045 0.000 1.866 190 H HN 0.696 nan 8.280 nan 0.000 0.545 191 T N -2.906 111.714 114.554 0.111 0.000 2.985 191 T HA 0.137 4.476 4.350 -0.019 0.000 0.254 191 T C 0.435 175.148 174.700 0.021 0.000 1.021 191 T CA -0.160 61.963 62.100 0.038 0.000 0.957 191 T CB 0.443 69.321 68.868 0.017 0.000 1.047 191 T HN 0.378 nan 8.240 nan 0.000 0.511 192 E N 3.424 123.632 120.200 0.013 0.000 2.467 192 E HA 0.121 4.460 4.350 -0.019 0.000 0.264 192 E C -2.368 174.226 176.600 -0.009 0.000 1.020 192 E CA -1.404 54.984 56.400 -0.019 0.000 0.945 192 E CB 0.516 30.177 29.700 -0.066 0.000 0.942 192 E HN 0.334 nan 8.360 nan 0.000 0.449 193 P HA 0.027 nan 4.420 nan 0.000 0.282 193 P C -0.567 176.740 177.300 0.011 0.000 1.262 193 P CA -0.111 62.987 63.100 -0.004 0.000 0.773 193 P CB 0.647 32.332 31.700 -0.024 0.000 0.879 194 V N 7.616 127.570 119.914 0.066 0.000 2.403 194 V HA 0.033 4.142 4.120 -0.019 0.000 0.265 194 V C -0.819 175.355 176.094 0.133 0.000 1.034 194 V CA -0.628 61.737 62.300 0.108 0.000 1.036 194 V CB 0.337 32.272 31.823 0.187 0.000 1.032 194 V HN 0.570 nan 8.190 nan 0.000 0.478 195 P HA -0.041 nan 4.420 nan 0.000 0.224 195 P C 0.464 177.791 177.300 0.045 0.000 1.157 195 P CA 0.414 63.526 63.100 0.022 0.000 0.799 195 P CB 0.312 32.011 31.700 -0.001 0.000 0.809 196 D N 1.237 121.690 120.400 0.088 0.000 2.363 196 D HA 0.033 4.662 4.640 -0.019 0.000 0.263 196 D C -1.515 174.910 176.300 0.209 0.000 1.258 196 D CA -1.818 52.241 54.000 0.099 0.000 0.907 196 D CB 1.017 41.860 40.800 0.071 0.000 1.107 196 D HN 0.002 nan 8.370 nan 0.000 0.495 197 P HA -0.086 nan 4.420 nan 0.000 0.222 197 P C 0.176 177.601 177.300 0.207 0.000 1.147 197 P CA 0.911 64.093 63.100 0.138 0.000 0.790 197 P CB 0.105 31.825 31.700 0.033 0.000 0.780 198 R N -1.504 119.077 120.500 0.136 0.000 2.989 198 R HA 0.672 5.001 4.340 -0.019 0.000 0.340 198 R C -0.331 175.986 176.300 0.028 0.000 1.205 198 R CA -0.565 55.581 56.100 0.076 0.000 1.235 198 R CB 0.239 30.565 30.300 0.043 0.000 1.394 198 R HN -0.149 nan 8.270 nan 0.000 0.598 199 A N 1.292 124.101 122.820 -0.018 0.000 2.354 199 A HA 0.470 4.779 4.320 -0.019 0.000 0.269 199 A C 0.815 178.329 177.584 -0.116 0.000 1.109 199 A CA -0.640 51.347 52.037 -0.083 0.000 0.800 199 A CB 0.738 19.656 19.000 -0.136 0.000 1.045 199 A HN 0.417 nan 8.150 nan 0.000 0.489 200 V N 1.041 120.921 119.914 -0.058 0.000 3.237 200 V HA 0.117 4.226 4.120 -0.019 0.000 0.305 200 V C 1.112 177.170 176.094 -0.060 0.000 1.096 200 V CA -0.269 61.998 62.300 -0.054 0.000 1.130 200 V CB 0.027 31.841 31.823 -0.015 0.000 1.048 200 V HN 0.852 nan 8.190 nan 0.000 0.484 201 N N 0.717 119.372 118.700 -0.076 0.000 2.205 201 N HA -0.197 4.532 4.740 -0.019 0.000 0.186 201 N C 1.641 177.197 175.510 0.078 0.000 1.015 201 N CA 1.868 54.892 53.050 -0.043 0.000 0.862 201 N CB -0.495 37.798 38.487 -0.323 0.000 0.986 201 N HN 0.877 nan 8.380 nan 0.000 0.429 202 Q N 0.591 120.414 119.800 0.038 0.000 2.291 202 Q HA -0.062 4.267 4.340 -0.019 0.000 0.206 202 Q C 0.376 176.429 176.000 0.088 0.000 0.976 202 Q CA 1.102 56.952 55.803 0.077 0.000 0.875 202 Q CB 0.108 28.886 28.738 0.066 0.000 0.927 202 Q HN 0.276 nan 8.270 nan 0.000 0.450 203 D N -0.998 119.435 120.400 0.055 0.000 2.369 203 D HA 0.046 4.675 4.640 -0.019 0.000 0.211 203 D C -0.376 175.937 176.300 0.023 0.000 1.077 203 D CA 0.176 54.198 54.000 0.037 0.000 0.842 203 D CB 0.356 41.163 40.800 0.012 0.000 0.947 203 D HN 0.091 nan 8.370 nan 0.000 0.509 204 K N 1.591 122.021 120.400 0.050 0.000 2.222 204 K HA 0.108 4.417 4.320 -0.019 0.000 0.243 204 K C 1.041 177.668 176.600 0.044 0.000 1.160 204 K CA -0.116 56.195 56.287 0.040 0.000 1.090 204 K CB 0.347 32.905 32.500 0.098 0.000 1.694 204 K HN 0.056 nan 8.250 nan 0.000 0.361 205 K N 0.208 120.633 120.400 0.042 0.000 2.476 205 K HA 0.002 4.311 4.320 -0.019 0.000 0.196 205 K C 0.163 176.769 176.600 0.009 0.000 1.025 205 K CA 0.091 56.400 56.287 0.036 0.000 1.138 205 K CB -0.062 32.495 32.500 0.094 0.000 0.860 205 K HN 0.173 nan 8.250 nan 0.000 0.515 206 N N 1.090 119.788 118.700 -0.004 0.000 2.598 206 N HA 0.166 4.894 4.740 -0.019 0.000 0.309 206 N C -0.871 174.594 175.510 -0.076 0.000 1.645 206 N CA -0.415 52.621 53.050 -0.022 0.000 0.936 206 N CB 0.442 38.939 38.487 0.016 0.000 1.323 206 N HN -0.018 nan 8.380 nan 0.000 0.497 207 M N 0.549 120.039 119.600 -0.184 0.000 2.470 207 M HA 0.455 4.924 4.480 -0.019 0.000 0.285 207 M C -1.332 174.634 176.300 -0.557 0.000 1.213 207 M CA -0.395 54.707 55.300 -0.331 0.000 0.901 207 M CB 2.461 34.843 32.600 -0.363 0.000 1.718 207 M HN 0.028 nan 8.290 nan 0.000 0.469 208 L N 1.965 122.886 121.223 -0.503 0.000 2.346 208 L HA 0.612 4.940 4.340 -0.019 0.000 0.276 208 L C -1.228 175.335 176.870 -0.512 0.000 1.006 208 L CA -0.607 53.941 54.840 -0.487 0.000 0.817 208 L CB 1.562 43.491 42.059 -0.216 0.000 1.272 208 L HN 0.464 nan 8.230 nan 0.000 0.421 209 F N 0.713 120.650 119.950 -0.020 0.000 2.405 209 F HA 0.216 4.732 4.527 -0.018 0.000 0.355 209 F C 1.000 176.787 175.800 -0.021 0.000 1.121 209 F CA -0.666 57.321 58.000 -0.022 0.000 1.112 209 F CB 1.513 40.495 39.000 -0.030 0.000 1.126 209 F HN 0.390 nan 8.300 nan 0.000 0.481 210 S N 2.703 118.494 115.700 0.151 0.000 2.885 210 S HA 0.324 4.782 4.470 -0.019 0.000 0.334 210 S C 1.089 175.745 174.600 0.092 0.000 1.224 210 S CA 1.050 59.306 58.200 0.094 0.000 1.080 210 S CB -0.428 62.820 63.200 0.081 0.000 0.801 210 S HN 1.265 nan 8.310 nan 0.000 0.510 211 G N 3.501 112.343 108.800 0.070 0.000 2.336 211 G HA2 -0.168 3.781 3.960 -0.019 0.000 0.194 211 G HA3 -0.168 3.781 3.960 -0.019 0.000 0.194 211 G C 0.243 175.116 174.900 -0.046 0.000 0.999 211 G CA 0.027 45.155 45.100 0.047 0.000 0.669 211 G HN 0.886 nan 8.290 nan 0.000 0.482 212 T N 2.296 116.846 114.554 -0.006 0.000 2.874 212 T HA 0.565 4.904 4.350 -0.019 0.000 0.281 212 T C -0.103 174.588 174.700 -0.015 0.000 0.994 212 T CA -0.226 61.858 62.100 -0.027 0.000 1.015 212 T CB 0.998 69.888 68.868 0.037 0.000 1.028 212 T HN 0.273 nan 8.240 nan 0.000 0.523 213 N N 1.501 120.189 118.700 -0.020 0.000 2.321 213 N HA 0.336 5.065 4.740 -0.019 0.000 0.299 213 N C -0.636 174.871 175.510 -0.006 0.000 1.048 213 N CA -0.658 52.391 53.050 -0.002 0.000 0.836 213 N CB 1.433 39.924 38.487 0.006 0.000 1.269 213 N HN 0.390 nan 8.380 nan 0.000 0.486 214 I N 1.536 122.103 120.570 -0.004 0.000 2.505 214 I HA 0.029 4.188 4.170 -0.019 0.000 0.287 214 I C 1.394 177.510 176.117 -0.002 0.000 1.104 214 I CA 0.087 61.382 61.300 -0.009 0.000 1.387 214 I CB 0.020 38.015 38.000 -0.008 0.000 1.404 214 I HN 0.574 nan 8.210 nan 0.000 0.528 215 A N 5.298 128.116 122.820 -0.003 0.000 2.275 215 A HA 0.650 4.958 4.320 -0.019 0.000 0.212 215 A C 0.890 178.476 177.584 0.003 0.000 1.201 215 A CA 0.641 52.679 52.037 0.002 0.000 0.843 215 A CB 0.152 19.154 19.000 0.002 0.000 0.873 215 A HN 0.889 nan 8.150 nan 0.000 0.492 216 A N -3.070 119.750 122.820 -0.001 0.000 2.522 216 A HA 0.634 4.943 4.320 -0.019 0.000 0.291 216 A C 0.474 178.055 177.584 -0.005 0.000 1.039 216 A CA 0.136 52.173 52.037 0.001 0.000 0.643 216 A CB -0.512 18.491 19.000 0.004 0.000 1.310 216 A HN 2.089 nan 8.150 nan 0.000 0.436 217 G N -0.220 108.579 108.800 -0.002 0.000 2.752 217 G HA2 0.292 4.241 3.960 -0.019 0.000 0.234 217 G HA3 0.292 4.241 3.960 -0.019 0.000 0.234 217 G C -0.250 174.646 174.900 -0.007 0.000 1.367 217 G CA 0.626 45.722 45.100 -0.006 0.000 0.879 217 G HN 1.988 nan 8.290 nan 0.000 0.563 218 K N -0.831 119.562 120.400 -0.011 0.000 2.570 218 K HA 0.692 5.001 4.320 -0.019 0.000 0.256 218 K C -0.493 176.096 176.600 -0.019 0.000 0.939 218 K CA -0.034 56.248 56.287 -0.009 0.000 0.833 218 K CB 1.224 33.725 32.500 0.001 0.000 1.318 218 K HN 2.157 nan 8.250 nan 0.000 0.433 219 A N 3.130 125.935 122.820 -0.025 0.000 2.569 219 A HA 0.792 5.101 4.320 -0.019 0.000 0.290 219 A C -2.090 175.464 177.584 -0.050 0.000 1.136 219 A CA -0.806 51.208 52.037 -0.040 0.000 0.710 219 A CB 1.615 20.587 19.000 -0.046 0.000 1.303 219 A HN 0.617 nan 8.150 nan 0.000 0.413 220 L N -0.189 120.992 121.223 -0.071 0.000 2.341 220 L HA 0.930 5.259 4.340 -0.019 0.000 0.267 220 L C 0.195 177.015 176.870 -0.083 0.000 1.009 220 L CA 0.501 55.282 54.840 -0.099 0.000 0.819 220 L CB 2.227 44.186 42.059 -0.168 0.000 1.323 220 L HN 1.331 nan 8.230 nan 0.000 0.425 221 G N 2.980 111.732 108.800 -0.080 0.000 2.608 221 G HA2 0.416 4.365 3.960 -0.019 0.000 0.291 221 G HA3 0.416 4.365 3.960 -0.019 0.000 0.291 221 G C -2.150 172.711 174.900 -0.065 0.000 1.425 221 G CA -0.603 44.458 45.100 -0.066 0.000 0.787 221 G HN 0.786 nan 8.290 nan 0.000 0.484 222 I N 0.506 121.042 120.570 -0.057 0.000 2.441 222 I HA 0.601 4.760 4.170 -0.019 0.000 0.295 222 I C -0.250 175.804 176.117 -0.104 0.000 0.994 222 I CA -1.014 60.237 61.300 -0.082 0.000 1.144 222 I CB 1.784 39.755 38.000 -0.048 0.000 1.314 222 I HN 0.256 nan 8.210 nan 0.000 0.445 223 V N 8.632 128.446 119.914 -0.166 0.000 2.450 223 V HA 0.097 4.205 4.120 -0.019 0.000 0.281 223 V C 1.163 177.150 176.094 -0.178 0.000 1.019 223 V CA 0.778 62.984 62.300 -0.157 0.000 1.062 223 V CB 0.429 32.156 31.823 -0.160 0.000 0.979 223 V HN 0.997 nan 8.190 nan 0.000 0.477 224 A N 4.903 127.687 122.820 -0.060 0.000 1.878 224 A HA 0.234 4.542 4.320 -0.019 0.000 0.213 224 A C 1.081 178.666 177.584 0.002 0.000 1.192 224 A CA 1.274 53.326 52.037 0.026 0.000 0.619 224 A CB 0.081 19.104 19.000 0.038 0.000 0.837 224 A HN 0.874 nan 8.150 nan 0.000 0.446 225 T N -3.354 111.185 114.554 -0.025 0.000 2.889 225 T HA 0.573 4.912 4.350 -0.019 0.000 0.315 225 T C -0.513 174.172 174.700 -0.025 0.000 1.291 225 T CA 0.075 62.150 62.100 -0.042 0.000 1.028 225 T CB 1.543 70.410 68.868 -0.002 0.000 1.235 225 T HN 0.758 nan 8.240 nan 0.000 0.491 226 T N -1.704 112.834 114.554 -0.026 0.000 2.716 226 T HA 0.848 5.187 4.350 -0.019 0.000 0.286 226 T C 1.089 175.810 174.700 0.035 0.000 1.052 226 T CA 0.144 62.250 62.100 0.010 0.000 1.024 226 T CB 1.043 69.918 68.868 0.010 0.000 1.349 226 T HN 2.206 nan 8.240 nan 0.000 0.525 227 G N 0.249 109.080 108.800 0.052 0.000 2.622 227 G HA2 -0.328 3.621 3.960 -0.019 0.000 0.307 227 G HA3 -0.328 3.621 3.960 -0.019 0.000 0.307 227 G C 1.047 175.977 174.900 0.051 0.000 1.226 227 G CA 1.989 47.127 45.100 0.062 0.000 0.997 227 G HN 1.994 nan 8.290 nan 0.000 0.551 228 V N -2.124 117.820 119.914 0.050 0.000 3.573 228 V HA 0.400 4.509 4.120 -0.019 0.000 0.270 228 V C 1.865 177.979 176.094 0.033 0.000 1.221 228 V CA 2.187 64.510 62.300 0.039 0.000 1.163 228 V CB 0.537 32.382 31.823 0.037 0.000 0.847 228 V HN 0.711 nan 8.190 nan 0.000 0.468 229 S N 0.751 116.474 115.700 0.037 0.000 2.568 229 S HA 0.177 4.636 4.470 -0.019 0.000 0.232 229 S C 0.961 175.581 174.600 0.034 0.000 0.975 229 S CA 0.363 58.583 58.200 0.033 0.000 0.949 229 S CB -0.054 63.168 63.200 0.036 0.000 0.829 229 S HN 0.876 nan 8.310 nan 0.000 0.479 230 T N -0.621 113.956 114.554 0.039 0.000 2.862 230 T HA 0.437 4.776 4.350 -0.019 0.000 0.276 230 T C 0.958 175.680 174.700 0.037 0.000 0.974 230 T CA -0.525 61.609 62.100 0.057 0.000 0.966 230 T CB 0.986 69.895 68.868 0.068 0.000 1.072 230 T HN -0.077 nan 8.240 nan 0.000 0.538 231 E N -0.237 119.988 120.200 0.040 0.000 2.072 231 E HA -0.001 4.337 4.350 -0.019 0.000 0.191 231 E C 1.753 178.317 176.600 -0.061 0.000 0.985 231 E CA 0.889 57.256 56.400 -0.055 0.000 0.801 231 E CB -0.355 29.216 29.700 -0.215 0.000 0.750 231 E HN 0.693 nan 8.360 nan 0.000 0.452 232 I N -0.665 119.891 120.570 -0.024 0.000 2.546 232 I HA -0.080 4.079 4.170 -0.019 0.000 0.255 232 I C 1.906 178.025 176.117 0.004 0.000 1.163 232 I CA 1.028 62.320 61.300 -0.014 0.000 1.457 232 I CB -0.043 37.967 38.000 0.016 0.000 1.092 232 I HN 0.224 nan 8.210 nan 0.000 0.434 233 G N 0.064 108.874 108.800 0.016 0.000 2.484 233 G HA2 -0.202 3.747 3.960 -0.019 0.000 0.218 233 G HA3 -0.202 3.747 3.960 -0.019 0.000 0.218 233 G C 1.654 176.559 174.900 0.008 0.000 1.130 233 G CA 0.352 45.464 45.100 0.020 0.000 0.784 233 G HN 0.299 nan 8.290 nan 0.000 0.543 234 K N -0.454 119.943 120.400 -0.005 0.000 2.361 234 K HA 0.337 4.646 4.320 -0.019 0.000 0.196 234 K C 2.099 178.684 176.600 -0.025 0.000 1.039 234 K CA -0.093 56.186 56.287 -0.014 0.000 1.001 234 K CB 0.090 32.578 32.500 -0.020 0.000 0.795 234 K HN 0.270 nan 8.250 nan 0.000 0.495 235 I N 0.642 121.194 120.570 -0.029 0.000 2.406 235 I HA -0.182 3.976 4.170 -0.019 0.000 0.249 235 I C 2.519 178.624 176.117 -0.020 0.000 1.122 235 I CA 0.623 61.904 61.300 -0.033 0.000 1.431 235 I CB -0.072 37.906 38.000 -0.038 0.000 1.087 235 I HN 0.144 nan 8.210 nan 0.000 0.424 236 R N 1.292 121.787 120.500 -0.009 0.000 2.091 236 R HA -0.212 4.117 4.340 -0.019 0.000 0.238 236 R C 1.315 177.611 176.300 -0.007 0.000 1.136 236 R CA 1.895 57.993 56.100 -0.003 0.000 0.959 236 R CB -0.445 29.859 30.300 0.007 0.000 0.856 236 R HN 0.270 nan 8.270 nan 0.000 0.437 237 D N 0.256 120.652 120.400 -0.007 0.000 2.348 237 D HA -0.058 4.571 4.640 -0.019 0.000 0.216 237 D C 1.697 177.988 176.300 -0.015 0.000 0.970 237 D CA 0.681 54.677 54.000 -0.007 0.000 0.889 237 D CB 0.183 40.981 40.800 -0.003 0.000 0.912 237 D HN 0.403 nan 8.370 nan 0.000 0.524 238 Q N -0.887 118.900 119.800 -0.022 0.000 2.259 238 Q HA 0.138 4.467 4.340 -0.019 0.000 0.201 238 Q C 1.982 177.964 176.000 -0.029 0.000 0.938 238 Q CA 0.434 56.219 55.803 -0.030 0.000 0.872 238 Q CB 0.211 28.926 28.738 -0.039 0.000 0.971 238 Q HN 0.314 nan 8.270 nan 0.000 0.494 239 M N -0.172 119.413 119.600 -0.025 0.000 2.419 239 M HA 0.050 4.519 4.480 -0.019 0.000 0.264 239 M C 2.166 178.453 176.300 -0.020 0.000 1.082 239 M CA 0.828 56.114 55.300 -0.023 0.000 1.119 239 M CB -0.167 32.421 32.600 -0.020 0.000 1.398 239 M HN 0.140 nan 8.290 nan 0.000 0.453 240 A N 1.005 123.815 122.820 -0.017 0.000 1.898 240 A HA 0.102 4.411 4.320 -0.019 0.000 0.216 240 A C 2.189 179.763 177.584 -0.016 0.000 1.181 240 A CA 1.673 53.701 52.037 -0.014 0.000 0.620 240 A CB -0.609 18.385 19.000 -0.010 0.000 0.819 240 A HN 0.478 nan 8.150 nan 0.000 0.442 241 A N -0.616 122.193 122.820 -0.018 0.000 2.291 241 A HA 0.354 4.663 4.320 -0.019 0.000 0.220 241 A C 0.666 178.236 177.584 -0.023 0.000 1.262 241 A CA 0.366 52.392 52.037 -0.020 0.000 0.867 241 A CB -0.658 18.330 19.000 -0.020 0.000 0.888 241 A HN 0.243 nan 8.150 nan 0.000 0.487 242 T N 1.366 115.906 114.554 -0.024 0.000 2.728 242 T HA 0.176 4.515 4.350 -0.019 0.000 0.296 242 T C -0.153 174.534 174.700 -0.022 0.000 0.940 242 T CA -0.221 61.863 62.100 -0.026 0.000 1.013 242 T CB 0.858 69.709 68.868 -0.027 0.000 0.912 242 T HN 0.376 nan 8.240 nan 0.000 0.484 243 E N 3.043 123.230 120.200 -0.022 0.000 2.129 243 E HA 0.070 4.408 4.350 -0.019 0.000 0.283 243 E C -0.356 176.233 176.600 -0.018 0.000 1.080 243 E CA -0.403 55.986 56.400 -0.019 0.000 0.867 243 E CB 0.701 30.391 29.700 -0.017 0.000 1.056 243 E HN 0.415 nan 8.360 nan 0.000 0.404 244 Q N 3.541 123.330 119.800 -0.017 0.000 2.389 244 Q HA 0.115 4.444 4.340 -0.019 0.000 0.244 244 Q C -1.229 174.763 176.000 -0.013 0.000 1.056 244 Q CA -0.290 55.503 55.803 -0.016 0.000 0.908 244 Q CB 0.386 29.113 28.738 -0.018 0.000 1.273 244 Q HN 0.306 nan 8.270 nan 0.000 0.471 245 D N 2.509 122.902 120.400 -0.011 0.000 2.362 245 D HA 0.089 4.718 4.640 -0.019 0.000 0.242 245 D C -0.059 176.237 176.300 -0.006 0.000 1.132 245 D CA 0.136 54.132 54.000 -0.007 0.000 0.907 245 D CB 0.738 41.535 40.800 -0.006 0.000 1.195 245 D HN 0.379 nan 8.370 nan 0.000 0.429 246 K N -0.023 120.376 120.400 -0.003 0.000 2.120 246 K HA 0.265 4.574 4.320 -0.019 0.000 0.245 246 K C 0.622 177.223 176.600 0.001 0.000 1.024 246 K CA -0.532 55.755 56.287 -0.000 0.000 0.906 246 K CB 0.341 32.843 32.500 0.004 0.000 1.051 246 K HN 0.527 nan 8.250 nan 0.000 0.491 247 T N -1.747 112.810 114.554 0.004 0.000 2.813 247 T HA 0.111 4.449 4.350 -0.019 0.000 0.297 247 T C -1.928 172.779 174.700 0.010 0.000 1.036 247 T CA -1.534 60.569 62.100 0.004 0.000 1.044 247 T CB 0.719 69.593 68.868 0.010 0.000 0.993 247 T HN 0.226 nan 8.240 nan 0.000 0.535 248 P HA 0.029 nan 4.420 nan 0.000 0.225 248 P C 1.318 178.643 177.300 0.041 0.000 1.148 248 P CA 0.200 63.308 63.100 0.012 0.000 0.779 248 P CB 0.015 31.704 31.700 -0.019 0.000 0.780 249 L N -0.391 120.864 121.223 0.053 0.000 2.071 249 L HA -0.027 4.302 4.340 -0.019 0.000 0.201 249 L C 2.272 179.161 176.870 0.032 0.000 1.076 249 L CA 1.790 56.668 54.840 0.062 0.000 0.755 249 L CB -1.354 40.753 42.059 0.079 0.000 0.915 249 L HN -0.174 nan 8.230 nan 0.000 0.445 250 Q N -0.917 118.899 119.800 0.026 0.000 2.308 250 Q HA -0.256 4.073 4.340 -0.019 0.000 0.209 250 Q C 2.019 178.034 176.000 0.025 0.000 0.985 250 Q CA 1.600 57.415 55.803 0.020 0.000 0.881 250 Q CB -0.109 28.637 28.738 0.015 0.000 0.917 250 Q HN 0.648 nan 8.270 nan 0.000 0.443 251 Q N -0.034 119.783 119.800 0.028 0.000 2.165 251 Q HA -0.016 4.313 4.340 -0.019 0.000 0.197 251 Q C 1.333 177.360 176.000 0.046 0.000 0.952 251 Q CA 0.679 56.501 55.803 0.032 0.000 0.848 251 Q CB 0.260 29.013 28.738 0.026 0.000 0.931 251 Q HN 0.154 nan 8.270 nan 0.000 0.470 252 K N 0.160 120.590 120.400 0.050 0.000 2.444 252 K HA 0.028 4.336 4.320 -0.019 0.000 0.193 252 K C 1.433 178.082 176.600 0.083 0.000 1.024 252 K CA -0.001 56.327 56.287 0.067 0.000 1.077 252 K CB 0.374 32.912 32.500 0.064 0.000 0.833 252 K HN -0.007 nan 8.250 nan 0.000 0.517 253 L N 0.652 121.910 121.223 0.059 0.000 2.307 253 L HA -0.001 4.328 4.340 -0.019 0.000 0.211 253 L C 1.161 178.112 176.870 0.135 0.000 1.099 253 L CA 1.513 56.395 54.840 0.070 0.000 0.816 253 L CB 0.133 42.197 42.059 0.008 0.000 0.952 253 L HN 0.034 nan 8.230 nan 0.000 0.455 254 D N -0.051 120.402 120.400 0.088 0.000 2.123 254 D HA -0.183 4.446 4.640 -0.019 0.000 0.200 254 D C 1.823 178.169 176.300 0.076 0.000 0.976 254 D CA 1.452 55.494 54.000 0.071 0.000 0.831 254 D CB 0.106 40.931 40.800 0.042 0.000 0.974 254 D HN 0.634 nan 8.370 nan 0.000 0.469 255 E N -0.720 119.533 120.200 0.088 0.000 2.502 255 E HA -0.069 4.270 4.350 -0.019 0.000 0.194 255 E C 1.617 178.282 176.600 0.107 0.000 1.062 255 E CA 0.049 56.494 56.400 0.075 0.000 0.867 255 E CB -0.336 29.403 29.700 0.065 0.000 0.888 255 E HN 0.239 nan 8.360 nan 0.000 0.510 256 F N 1.789 121.740 119.950 0.001 0.000 2.219 256 F HA 0.269 4.784 4.527 -0.021 0.000 0.294 256 F C 2.165 177.958 175.800 -0.012 0.000 1.086 256 F CA 1.394 59.390 58.000 -0.005 0.000 1.330 256 F CB -0.356 38.633 39.000 -0.018 0.000 1.047 256 F HN 0.065 nan 8.300 nan 0.000 0.495 257 G N 0.557 109.397 108.800 0.067 0.000 2.446 257 G HA2 -0.347 3.602 3.960 -0.019 0.000 0.217 257 G HA3 -0.347 3.602 3.960 -0.019 0.000 0.217 257 G C 1.358 176.197 174.900 -0.103 0.000 1.168 257 G CA 1.153 46.234 45.100 -0.032 0.000 0.771 257 G HN 0.564 nan 8.290 nan 0.000 0.551 258 E N -0.148 120.017 120.200 -0.059 0.000 2.110 258 E HA -0.136 4.203 4.350 -0.019 0.000 0.193 258 E C 2.304 178.844 176.600 -0.099 0.000 0.988 258 E CA 1.214 57.578 56.400 -0.060 0.000 0.804 258 E CB -0.339 29.345 29.700 -0.026 0.000 0.745 258 E HN 0.284 nan 8.360 nan 0.000 0.458 259 Q N -0.001 119.716 119.800 -0.138 0.000 2.167 259 Q HA -0.032 4.297 4.340 -0.019 0.000 0.202 259 Q C 2.152 178.008 176.000 -0.241 0.000 0.970 259 Q CA 0.783 56.488 55.803 -0.163 0.000 0.855 259 Q CB -0.198 28.451 28.738 -0.148 0.000 0.911 259 Q HN 0.325 nan 8.270 nan 0.000 0.438 260 L N 0.092 121.095 121.223 -0.366 0.000 2.072 260 L HA -0.029 4.299 4.340 -0.019 0.000 0.205 260 L C 2.312 179.065 176.870 -0.194 0.000 1.079 260 L CA 1.521 56.147 54.840 -0.358 0.000 0.752 260 L CB -0.681 41.087 42.059 -0.486 0.000 0.906 260 L HN 0.068 nan 8.230 nan 0.000 0.436 261 S N -1.232 114.379 115.700 -0.149 0.000 2.428 261 S HA -0.179 4.279 4.470 -0.019 0.000 0.230 261 S C 2.080 176.630 174.600 -0.083 0.000 1.014 261 S CA 1.237 59.380 58.200 -0.096 0.000 0.957 261 S CB -0.113 63.044 63.200 -0.071 0.000 0.784 261 S HN 0.352 nan 8.310 nan 0.000 0.499 262 K N 0.772 121.119 120.400 -0.088 0.000 2.116 262 K HA 0.177 4.486 4.320 -0.019 0.000 0.203 262 K C 1.719 178.278 176.600 -0.069 0.000 1.052 262 K CA 1.126 57.372 56.287 -0.068 0.000 0.952 262 K CB -0.523 31.941 32.500 -0.060 0.000 0.729 262 K HN 0.227 nan 8.250 nan 0.000 0.446 263 V N 0.966 120.827 119.914 -0.089 0.000 2.548 263 V HA -0.149 3.960 4.120 -0.019 0.000 0.249 263 V C 2.116 178.161 176.094 -0.083 0.000 1.055 263 V CA 1.413 63.662 62.300 -0.086 0.000 1.065 263 V CB -0.302 31.460 31.823 -0.101 0.000 0.681 263 V HN 0.292 nan 8.190 nan 0.000 0.462 264 I N 0.952 121.471 120.570 -0.085 0.000 2.179 264 I HA -0.211 3.948 4.170 -0.019 0.000 0.242 264 I C 2.468 178.551 176.117 -0.056 0.000 1.088 264 I CA 2.013 63.269 61.300 -0.073 0.000 1.357 264 I CB -0.444 37.513 38.000 -0.073 0.000 1.051 264 I HN 0.486 nan 8.210 nan 0.000 0.409 265 S N 0.442 116.111 115.700 -0.052 0.000 2.607 265 S HA -0.007 4.452 4.470 -0.019 0.000 0.224 265 S C 1.763 176.349 174.600 -0.023 0.000 0.969 265 S CA 0.216 58.394 58.200 -0.037 0.000 0.927 265 S CB -0.103 63.072 63.200 -0.042 0.000 0.772 265 S HN 0.384 nan 8.310 nan 0.000 0.533 266 L N 0.648 121.853 121.223 -0.029 0.000 2.357 266 L HA 0.411 4.740 4.340 -0.019 0.000 0.211 266 L C 1.817 178.685 176.870 -0.004 0.000 1.075 266 L CA 0.986 55.815 54.840 -0.019 0.000 0.830 266 L CB -0.478 41.560 42.059 -0.034 0.000 0.996 266 L HN 0.357 nan 8.230 nan 0.000 0.467 267 I N -0.847 119.707 120.570 -0.026 0.000 2.584 267 I HA -0.208 3.951 4.170 -0.019 0.000 0.255 267 I C 2.245 178.415 176.117 0.088 0.000 1.145 267 I CA 0.404 61.695 61.300 -0.016 0.000 1.462 267 I CB -0.214 37.725 38.000 -0.101 0.000 1.102 267 I HN 0.223 nan 8.210 nan 0.000 0.433 268 C N 0.356 119.692 119.300 0.060 0.000 2.511 268 C HA 0.029 4.478 4.460 -0.019 0.000 0.277 268 C C 2.235 177.394 174.990 0.283 0.000 1.451 268 C CA 0.361 59.442 59.018 0.106 0.000 1.735 268 C CB -1.026 26.726 27.740 0.020 0.000 1.704 268 C HN 0.359 nan 8.230 nan 0.000 0.571 269 V N -0.566 119.475 119.914 0.212 0.000 3.612 269 V HA 0.201 4.310 4.120 -0.019 0.000 0.268 269 V C 2.189 178.448 176.094 0.276 0.000 1.365 269 V CA 1.128 63.554 62.300 0.210 0.000 1.044 269 V CB -0.263 31.585 31.823 0.042 0.000 0.820 269 V HN 0.416 nan 8.190 nan 0.000 0.444 270 A N 0.232 123.202 122.820 0.249 0.000 1.975 270 A HA -0.002 4.307 4.320 -0.019 0.000 0.215 270 A C 2.174 179.988 177.584 0.384 0.000 1.170 270 A CA 1.417 53.616 52.037 0.270 0.000 0.656 270 A CB -0.241 18.873 19.000 0.190 0.000 0.821 270 A HN 0.276 nan 8.150 nan 0.000 0.449 271 V N -1.426 118.750 119.914 0.437 0.000 2.427 271 V HA -0.229 3.880 4.120 -0.019 0.000 0.248 271 V C 2.215 178.579 176.094 0.450 0.000 1.051 271 V CA 1.491 64.043 62.300 0.419 0.000 1.048 271 V CB -0.833 31.187 31.823 0.328 0.000 0.666 271 V HN 0.839 nan 8.190 nan 0.000 0.456 272 W N 0.300 121.801 121.300 0.335 0.000 2.358 272 W HA -0.104 4.544 4.660 -0.019 0.000 0.303 272 W C 2.101 178.679 176.519 0.098 0.000 1.208 272 W CA 1.335 58.768 57.345 0.147 0.000 1.274 272 W CB -0.263 29.233 29.460 0.060 0.000 1.138 272 W HN 0.245 nan 8.180 nan 0.000 0.515 273 L N 0.280 121.739 121.223 0.393 0.000 2.265 273 L HA -0.204 4.125 4.340 -0.019 0.000 0.215 273 L C 1.940 178.909 176.870 0.165 0.000 1.117 273 L CA 0.929 55.924 54.840 0.258 0.000 0.782 273 L CB -0.409 41.778 42.059 0.213 0.000 0.914 273 L HN -0.092 nan 8.230 nan 0.000 0.441 274 I N -1.893 118.766 120.570 0.148 0.000 3.968 274 I HA 0.011 4.170 4.170 -0.019 0.000 0.328 274 I C 0.740 176.874 176.117 0.027 0.000 1.290 274 I CA 0.078 61.425 61.300 0.079 0.000 1.163 274 I CB -0.001 38.034 38.000 0.058 0.000 1.024 274 I HN 0.250 nan 8.210 nan 0.000 0.413 285 G N -0.437 108.422 108.800 0.099 0.000 3.382 285 G HA2 0.465 4.414 3.960 -0.019 0.000 0.183 285 G HA3 0.465 4.414 3.960 -0.019 0.000 0.183 285 G C 0.604 175.522 174.900 0.030 0.000 1.246 285 G CA 0.487 45.620 45.100 0.054 0.000 0.828 285 G HN 0.732 nan 8.290 nan 0.000 0.728 286 G N -0.500 108.318 108.800 0.029 0.000 2.578 286 G HA2 0.025 3.974 3.960 -0.019 0.000 0.313 286 G HA3 0.025 3.974 3.960 -0.019 0.000 0.313 286 G C 0.386 175.320 174.900 0.057 0.000 1.324 286 G CA 0.912 46.029 45.100 0.028 0.000 0.955 286 G HN 1.612 nan 8.290 nan 0.000 0.541 287 S N -2.896 112.845 115.700 0.067 0.000 2.911 287 S HA 0.572 5.031 4.470 -0.019 0.000 0.319 287 S C -0.284 174.427 174.600 0.184 0.000 1.154 287 S CA 0.037 58.334 58.200 0.161 0.000 0.857 287 S CB 1.299 64.578 63.200 0.132 0.000 1.279 287 S HN 0.606 nan 8.310 nan 0.000 0.593 288 W N 0.804 122.090 121.300 -0.023 0.000 3.290 288 W HA 0.363 5.013 4.660 -0.018 0.000 0.287 288 W C 1.337 177.844 176.519 -0.020 0.000 1.288 288 W CA -0.305 57.028 57.345 -0.021 0.000 1.725 288 W CB -0.240 29.213 29.460 -0.012 0.000 1.103 288 W HN 0.469 nan 8.180 nan 0.000 0.670 289 I N 0.051 120.713 120.570 0.154 0.000 2.731 289 I HA 0.010 4.169 4.170 -0.019 0.000 0.260 289 I C 2.263 178.407 176.117 0.045 0.000 1.138 289 I CA 1.279 62.632 61.300 0.088 0.000 1.461 289 I CB -0.128 37.913 38.000 0.068 0.000 1.128 289 I HN -0.210 nan 8.210 nan 0.000 0.438 290 R N 0.005 120.526 120.500 0.035 0.000 2.115 290 R HA 0.021 4.350 4.340 -0.019 0.000 0.226 290 R C 2.207 178.540 176.300 0.055 0.000 1.100 290 R CA 1.039 57.159 56.100 0.034 0.000 0.980 290 R CB -0.675 29.629 30.300 0.008 0.000 0.875 290 R HN 0.482 nan 8.270 nan 0.000 0.445 291 G N 0.998 109.803 108.800 0.008 0.000 2.421 291 G HA2 -0.268 3.680 3.960 -0.019 0.000 0.216 291 G HA3 -0.268 3.680 3.960 -0.019 0.000 0.216 291 G C 1.563 176.626 174.900 0.271 0.000 1.171 291 G CA 0.788 45.921 45.100 0.054 0.000 0.775 291 G HN 0.379 nan 8.290 nan 0.000 0.543 292 A N 0.795 123.652 122.820 0.063 0.000 1.883 292 A HA 0.002 4.311 4.320 -0.019 0.000 0.217 292 A C 2.413 179.822 177.584 -0.292 0.000 1.186 292 A CA 1.385 53.366 52.037 -0.092 0.000 0.624 292 A CB -0.426 18.500 19.000 -0.124 0.000 0.822 292 A HN 0.375 nan 8.150 nan 0.000 0.444 293 I N -0.810 119.678 120.570 -0.136 0.000 2.286 293 I HA -0.299 3.860 4.170 -0.019 0.000 0.248 293 I C 2.527 178.717 176.117 0.120 0.000 1.115 293 I CA 1.834 63.091 61.300 -0.073 0.000 1.392 293 I CB -0.547 37.479 38.000 0.044 0.000 1.065 293 I HN 0.723 nan 8.210 nan 0.000 0.418 294 Y N 0.826 121.164 120.300 0.063 0.000 2.034 294 Y HA -0.396 4.142 4.550 -0.019 0.000 0.269 294 Y C 2.523 178.574 175.900 0.251 0.000 1.125 294 Y CA 1.425 59.600 58.100 0.125 0.000 1.097 294 Y CB -1.668 36.831 38.460 0.065 0.000 0.978 294 Y HN 0.045 nan 8.280 nan 0.000 0.480 295 Y N -0.337 119.350 120.300 -1.021 0.000 2.465 295 Y HA -0.316 4.223 4.550 -0.018 0.000 0.277 295 Y C 1.303 177.269 175.900 0.109 0.000 1.190 295 Y CA 1.510 59.280 58.100 -0.550 0.000 1.385 295 Y CB -0.439 37.759 38.460 -0.437 0.000 0.966 295 Y HN 0.299 nan 8.280 nan 0.000 0.579 296 F N -1.118 118.807 119.950 -0.042 0.000 2.776 296 F HA 0.093 4.609 4.527 -0.019 0.000 0.300 296 F C 1.936 177.741 175.800 0.009 0.000 1.116 296 F CA 0.314 58.325 58.000 0.018 0.000 1.375 296 F CB -0.193 38.862 39.000 0.093 0.000 1.109 296 F HN -0.113 nan 8.300 nan 0.000 0.585 297 K N 0.568 121.069 120.400 0.168 0.000 2.098 297 K HA 0.022 4.330 4.320 -0.019 0.000 0.203 297 K C 2.085 178.704 176.600 0.031 0.000 1.051 297 K CA 1.167 57.520 56.287 0.111 0.000 0.957 297 K CB -0.051 32.525 32.500 0.126 0.000 0.738 297 K HN 0.282 nan 8.250 nan 0.000 0.447 298 I N -1.994 118.553 120.570 -0.039 0.000 2.439 298 I HA -0.057 4.101 4.170 -0.019 0.000 0.251 298 I C 2.229 178.265 176.117 -0.135 0.000 1.139 298 I CA 1.032 62.277 61.300 -0.090 0.000 1.438 298 I CB -0.468 37.444 38.000 -0.146 0.000 1.085 298 I HN -0.108 nan 8.210 nan 0.000 0.427 299 A N 1.862 124.562 122.820 -0.200 0.000 1.877 299 A HA -0.083 4.226 4.320 -0.019 0.000 0.216 299 A C 2.436 179.958 177.584 -0.103 0.000 1.186 299 A CA 2.135 54.054 52.037 -0.197 0.000 0.620 299 A CB -1.089 17.745 19.000 -0.277 0.000 0.822 299 A HN 0.314 nan 8.150 nan 0.000 0.443 300 V N -0.118 119.761 119.914 -0.057 0.000 2.427 300 V HA -0.217 3.892 4.120 -0.019 0.000 0.248 300 V C 3.031 179.128 176.094 0.005 0.000 1.051 300 V CA 1.820 64.114 62.300 -0.010 0.000 1.048 300 V CB -1.193 30.652 31.823 0.037 0.000 0.666 300 V HN 0.617 nan 8.190 nan 0.000 0.456 301 A N -0.379 122.445 122.820 0.007 0.000 1.933 301 A HA -0.149 4.160 4.320 -0.019 0.000 0.218 301 A C 2.215 179.803 177.584 0.007 0.000 1.175 301 A CA 1.526 53.574 52.037 0.019 0.000 0.628 301 A CB -0.491 18.524 19.000 0.024 0.000 0.814 301 A HN 0.392 nan 8.150 nan 0.000 0.444 302 L N -0.652 120.562 121.223 -0.016 0.000 2.141 302 L HA -0.080 4.249 4.340 -0.019 0.000 0.209 302 L C 2.776 179.631 176.870 -0.025 0.000 1.094 302 L CA 1.904 56.732 54.840 -0.020 0.000 0.763 302 L CB -1.329 40.707 42.059 -0.038 0.000 0.908 302 L HN 0.441 nan 8.230 nan 0.000 0.437 303 A N -0.737 122.067 122.820 -0.027 0.000 1.858 303 A HA -0.158 4.151 4.320 -0.019 0.000 0.216 303 A C 2.205 179.785 177.584 -0.008 0.000 1.190 303 A CA 1.941 53.964 52.037 -0.024 0.000 0.617 303 A CB -0.735 18.251 19.000 -0.023 0.000 0.827 303 A HN 0.250 nan 8.150 nan 0.000 0.443 304 V N -0.358 119.561 119.914 0.008 0.000 3.041 304 V HA -0.052 4.057 4.120 -0.019 0.000 0.260 304 V C 2.740 178.842 176.094 0.015 0.000 1.105 304 V CA 1.317 63.630 62.300 0.020 0.000 1.125 304 V CB -0.742 31.106 31.823 0.042 0.000 0.730 304 V HN 0.600 nan 8.190 nan 0.000 0.479 305 A N -0.176 122.649 122.820 0.008 0.000 2.067 305 A HA 0.230 4.539 4.320 -0.019 0.000 0.217 305 A C 2.198 179.775 177.584 -0.011 0.000 1.156 305 A CA 1.524 53.563 52.037 0.003 0.000 0.683 305 A CB -0.190 18.815 19.000 0.008 0.000 0.808 305 A HN 0.530 nan 8.150 nan 0.000 0.455 306 A N -1.059 121.751 122.820 -0.017 0.000 2.167 306 A HA 0.412 4.721 4.320 -0.019 0.000 0.208 306 A C 0.502 178.083 177.584 -0.005 0.000 1.198 306 A CA -0.054 51.968 52.037 -0.025 0.000 0.863 306 A CB 0.162 19.131 19.000 -0.051 0.000 0.904 306 A HN 0.264 nan 8.150 nan 0.000 0.484 307 I N 1.543 122.113 120.570 0.000 0.000 2.396 307 I HA 0.244 4.403 4.170 -0.019 0.000 0.289 307 I C -2.603 173.527 176.117 0.021 0.000 1.056 307 I CA -2.685 58.627 61.300 0.020 0.000 1.365 307 I CB 0.539 38.546 38.000 0.011 0.000 1.407 307 I HN -0.008 nan 8.210 nan 0.000 0.509 308 P HA 0.267 nan 4.420 nan 0.000 0.225 308 P C 0.278 177.585 177.300 0.011 0.000 1.830 308 P CA -0.373 62.732 63.100 0.009 0.000 1.051 308 P CB 0.176 31.878 31.700 0.003 0.000 1.929 309 E N 0.756 120.961 120.200 0.008 0.000 2.339 309 E HA -0.167 4.172 4.350 -0.019 0.000 0.201 309 E C 2.142 178.742 176.600 0.000 0.000 1.015 309 E CA 1.647 58.052 56.400 0.007 0.000 0.841 309 E CB -0.701 29.007 29.700 0.013 0.000 0.754 309 E HN 0.465 nan 8.360 nan 0.000 0.508 310 G N 0.377 109.174 108.800 -0.006 0.000 2.396 310 G HA2 -0.179 3.769 3.960 -0.019 0.000 0.214 310 G HA3 -0.179 3.769 3.960 -0.019 0.000 0.214 310 G C 1.352 176.259 174.900 0.012 0.000 1.166 310 G CA 0.436 45.529 45.100 -0.011 0.000 0.793 310 G HN 0.213 nan 8.290 nan 0.000 0.533 311 L N 1.826 123.071 121.223 0.036 0.000 2.169 311 L HA -0.238 4.090 4.340 -0.019 0.000 0.244 311 L C 0.306 177.219 176.870 0.072 0.000 1.122 311 L CA 3.409 58.294 54.840 0.076 0.000 0.848 311 L CB -1.175 40.907 42.059 0.037 0.000 0.953 311 L HN 0.167 nan 8.230 nan 0.000 0.447 312 P HA -0.293 nan 4.420 nan 0.000 0.216 312 P C 1.450 178.762 177.300 0.021 0.000 1.167 312 P CA 2.869 65.985 63.100 0.026 0.000 0.914 312 P CB -0.420 31.283 31.700 0.004 0.000 0.793 313 A N -0.641 122.182 122.820 0.005 0.000 1.940 313 A HA -0.160 4.149 4.320 -0.019 0.000 0.219 313 A C 2.468 180.035 177.584 -0.029 0.000 1.176 313 A CA 2.308 54.339 52.037 -0.011 0.000 0.631 313 A CB -1.679 17.308 19.000 -0.022 0.000 0.814 313 A HN 0.103 nan 8.150 nan 0.000 0.446 314 V N 0.148 120.041 119.914 -0.037 0.000 2.244 314 V HA -0.257 3.852 4.120 -0.019 0.000 0.244 314 V C 2.385 178.407 176.094 -0.120 0.000 1.042 314 V CA 1.859 64.082 62.300 -0.129 0.000 1.006 314 V CB -0.862 30.867 31.823 -0.157 0.000 0.641 314 V HN 0.562 nan 8.190 nan 0.000 0.446 315 I N 0.534 121.144 120.570 0.067 0.000 2.053 315 I HA -0.345 3.813 4.170 -0.019 0.000 0.236 315 I C 2.686 178.840 176.117 0.061 0.000 1.038 315 I CA 2.398 63.795 61.300 0.163 0.000 1.304 315 I CB -0.897 37.204 38.000 0.168 0.000 1.023 315 I HN 0.350 nan 8.210 nan 0.000 0.395 316 T N 0.081 114.658 114.554 0.038 0.000 2.680 316 T HA -0.251 4.088 4.350 -0.019 0.000 0.268 316 T C 1.770 176.477 174.700 0.011 0.000 1.033 316 T CA 2.240 64.354 62.100 0.024 0.000 1.152 316 T CB -0.670 68.210 68.868 0.020 0.000 0.859 316 T HN 0.445 nan 8.240 nan 0.000 0.452 317 T N 0.818 115.366 114.554 -0.011 0.000 2.746 317 T HA -0.154 4.185 4.350 -0.019 0.000 0.267 317 T C 2.282 176.981 174.700 -0.001 0.000 1.039 317 T CA 1.283 63.374 62.100 -0.015 0.000 1.142 317 T CB -0.889 67.950 68.868 -0.048 0.000 0.866 317 T HN 0.573 nan 8.240 nan 0.000 0.444 318 C N 1.094 120.381 119.300 -0.021 0.000 2.429 318 C HA 0.004 4.453 4.460 -0.019 0.000 0.277 318 C C 2.511 177.510 174.990 0.015 0.000 1.262 318 C CA 0.395 59.416 59.018 0.005 0.000 1.733 318 C CB -1.484 26.260 27.740 0.007 0.000 2.010 318 C HN 0.369 nan 8.230 nan 0.000 0.483 319 L N 1.750 122.989 121.223 0.027 0.000 2.017 319 L HA 0.009 4.338 4.340 -0.019 0.000 0.208 319 L C 2.888 179.759 176.870 0.002 0.000 1.073 319 L CA 2.402 57.254 54.840 0.019 0.000 0.745 319 L CB -1.300 40.776 42.059 0.028 0.000 0.894 319 L HN 0.414 nan 8.230 nan 0.000 0.432 320 A N -1.477 121.346 122.820 0.005 0.000 2.067 320 A HA -0.079 4.230 4.320 -0.019 0.000 0.219 320 A C 2.281 179.860 177.584 -0.007 0.000 1.158 320 A CA 1.109 53.147 52.037 0.001 0.000 0.661 320 A CB -0.568 18.439 19.000 0.011 0.000 0.801 320 A HN 0.389 nan 8.150 nan 0.000 0.452 321 L N -1.302 119.917 121.223 -0.008 0.000 2.341 321 L HA 0.048 4.376 4.340 -0.019 0.000 0.214 321 L C 2.569 179.385 176.870 -0.089 0.000 1.115 321 L CA 0.670 55.491 54.840 -0.032 0.000 0.820 321 L CB -0.160 41.906 42.059 0.011 0.000 0.944 321 L HN 0.472 nan 8.230 nan 0.000 0.452 322 G N -1.211 107.547 108.800 -0.070 0.000 2.426 322 G HA2 -0.155 3.794 3.960 -0.019 0.000 0.214 322 G HA3 -0.155 3.794 3.960 -0.019 0.000 0.214 322 G C 1.518 176.380 174.900 -0.064 0.000 1.156 322 G CA 0.868 45.919 45.100 -0.081 0.000 0.802 322 G HN 0.185 nan 8.290 nan 0.000 0.534 323 T N 1.143 115.670 114.554 -0.044 0.000 2.607 323 T HA -0.150 4.188 4.350 -0.019 0.000 0.267 323 T C 2.451 177.124 174.700 -0.044 0.000 1.049 323 T CA 1.348 63.425 62.100 -0.038 0.000 1.162 323 T CB -0.199 68.653 68.868 -0.027 0.000 0.863 323 T HN 0.245 nan 8.240 nan 0.000 0.424 324 R N 0.440 120.914 120.500 -0.044 0.000 2.193 324 R HA 0.023 4.352 4.340 -0.019 0.000 0.229 324 R C 2.588 178.851 176.300 -0.061 0.000 1.110 324 R CA 0.870 56.943 56.100 -0.045 0.000 0.988 324 R CB -0.157 30.121 30.300 -0.038 0.000 0.871 324 R HN 0.275 nan 8.270 nan 0.000 0.458 325 R N 0.290 120.741 120.500 -0.081 0.000 2.161 325 R HA 0.077 4.406 4.340 -0.019 0.000 0.213 325 R C 1.839 178.090 176.300 -0.083 0.000 1.055 325 R CA 0.767 56.806 56.100 -0.101 0.000 0.996 325 R CB 0.204 30.417 30.300 -0.146 0.000 0.901 325 R HN 0.168 nan 8.270 nan 0.000 0.456 326 M N -0.772 118.786 119.600 -0.070 0.000 2.476 326 M HA 0.115 4.584 4.480 -0.019 0.000 0.262 326 M C 2.097 178.366 176.300 -0.052 0.000 1.111 326 M CA 0.657 55.920 55.300 -0.062 0.000 1.127 326 M CB 0.365 32.931 32.600 -0.057 0.000 1.376 326 M HN 0.165 nan 8.290 nan 0.000 0.465 327 A N 0.516 123.308 122.820 -0.048 0.000 2.015 327 A HA -0.090 4.219 4.320 -0.019 0.000 0.219 327 A C 2.111 179.673 177.584 -0.038 0.000 1.163 327 A CA 1.225 53.238 52.037 -0.039 0.000 0.646 327 A CB -0.271 18.709 19.000 -0.034 0.000 0.806 327 A HN 0.229 nan 8.150 nan 0.000 0.448 328 K N 0.125 120.500 120.400 -0.043 0.000 2.217 328 K HA -0.029 4.280 4.320 -0.019 0.000 0.202 328 K C 0.917 177.494 176.600 -0.039 0.000 1.051 328 K CA 1.056 57.319 56.287 -0.040 0.000 0.952 328 K CB -0.110 32.362 32.500 -0.046 0.000 0.736 328 K HN 0.469 nan 8.250 nan 0.000 0.453 329 K N 0.854 121.227 120.400 -0.045 0.000 2.446 329 K HA 0.095 4.403 4.320 -0.019 0.000 0.203 329 K C -0.178 176.397 176.600 -0.042 0.000 1.027 329 K CA -0.079 56.181 56.287 -0.045 0.000 1.166 329 K CB 0.282 32.750 32.500 -0.053 0.000 0.869 329 K HN 0.050 nan 8.250 nan 0.000 0.504 330 N N -1.027 117.651 118.700 -0.037 0.000 2.984 330 N HA -0.160 4.569 4.740 -0.019 0.000 0.227 330 N C -0.526 174.962 175.510 -0.037 0.000 0.903 330 N CA 1.221 54.251 53.050 -0.033 0.000 0.995 330 N CB -1.235 37.235 38.487 -0.028 0.000 1.065 330 N HN 0.296 nan 8.380 nan 0.000 0.585 331 A N 1.228 124.022 122.820 -0.044 0.000 2.316 331 A HA 0.595 4.904 4.320 -0.019 0.000 0.311 331 A C 0.577 178.137 177.584 -0.041 0.000 1.339 331 A CA -0.316 51.693 52.037 -0.047 0.000 0.960 331 A CB -0.021 18.944 19.000 -0.058 0.000 1.152 331 A HN 0.257 nan 8.150 nan 0.000 0.547 332 I N 4.119 124.668 120.570 -0.035 0.000 2.278 332 I HA 0.100 4.259 4.170 -0.019 0.000 0.296 332 I C -0.410 175.687 176.117 -0.033 0.000 1.121 332 I CA -0.254 61.027 61.300 -0.032 0.000 1.267 332 I CB 0.886 38.869 38.000 -0.027 0.000 1.447 332 I HN 0.267 nan 8.210 nan 0.000 0.509 333 V N 7.990 127.884 119.914 -0.034 0.000 2.408 333 V HA 0.213 4.321 4.120 -0.019 0.000 0.267 333 V C 1.153 177.229 176.094 -0.030 0.000 1.047 333 V CA -0.225 62.056 62.300 -0.032 0.000 0.937 333 V CB 0.868 32.673 31.823 -0.031 0.000 0.999 333 V HN 0.747 nan 8.190 nan 0.000 0.472 334 R N 2.464 122.946 120.500 -0.030 0.000 2.041 334 R HA 0.069 4.398 4.340 -0.019 0.000 0.221 334 R C 1.269 177.549 176.300 -0.033 0.000 1.196 334 R CA 0.600 56.680 56.100 -0.033 0.000 0.969 334 R CB -0.276 30.003 30.300 -0.034 0.000 0.858 334 R HN 0.578 nan 8.270 nan 0.000 0.444 335 S N 1.878 117.560 115.700 -0.030 0.000 2.515 335 S HA 0.021 4.480 4.470 -0.019 0.000 0.285 335 S C 1.522 176.109 174.600 -0.021 0.000 1.265 335 S CA -0.557 57.626 58.200 -0.028 0.000 1.079 335 S CB 0.294 63.479 63.200 -0.025 0.000 0.877 335 S HN 0.185 nan 8.310 nan 0.000 0.493 336 L N 6.781 127.993 121.223 -0.019 0.000 1.956 336 L HA -0.041 4.288 4.340 -0.019 0.000 0.216 336 L C -0.493 176.376 176.870 -0.001 0.000 1.073 336 L CA 2.283 57.117 54.840 -0.010 0.000 0.762 336 L CB -2.766 39.290 42.059 -0.006 0.000 0.889 336 L HN 0.550 nan 8.230 nan 0.000 0.433 337 P HA -0.082 nan 4.420 nan 0.000 0.219 337 P C 1.759 179.064 177.300 0.008 0.000 1.146 337 P CA 1.011 64.117 63.100 0.011 0.000 0.808 337 P CB -0.019 31.685 31.700 0.007 0.000 0.779 338 S N -0.440 115.258 115.700 -0.003 0.000 2.461 338 S HA -0.144 4.315 4.470 -0.019 0.000 0.246 338 S C 1.821 176.417 174.600 -0.008 0.000 1.007 338 S CA 1.440 59.635 58.200 -0.009 0.000 0.976 338 S CB -1.303 61.887 63.200 -0.017 0.000 0.763 338 S HN 0.201 nan 8.310 nan 0.000 0.508 339 V N 1.024 120.939 119.914 0.001 0.000 2.667 339 V HA -0.093 4.015 4.120 -0.019 0.000 0.252 339 V C 2.156 178.265 176.094 0.025 0.000 1.065 339 V CA 1.744 64.047 62.300 0.005 0.000 1.083 339 V CB -0.753 31.075 31.823 0.008 0.000 0.692 339 V HN 0.545 nan 8.190 nan 0.000 0.468 340 E N 1.871 122.097 120.200 0.042 0.000 2.086 340 E HA -0.148 4.191 4.350 -0.019 0.000 0.190 340 E C 2.228 178.833 176.600 0.008 0.000 0.975 340 E CA 1.883 58.331 56.400 0.081 0.000 0.813 340 E CB -1.183 28.592 29.700 0.126 0.000 0.768 340 E HN 0.514 nan 8.360 nan 0.000 0.457 341 T N -0.528 114.019 114.554 -0.011 0.000 2.962 341 T HA -0.059 4.280 4.350 -0.019 0.000 0.270 341 T C 1.616 176.285 174.700 -0.052 0.000 1.088 341 T CA 0.989 63.064 62.100 -0.042 0.000 1.127 341 T CB -0.387 68.465 68.868 -0.027 0.000 0.883 341 T HN 0.180 nan 8.240 nan 0.000 0.493 342 L N 1.217 122.418 121.223 -0.037 0.000 2.265 342 L HA 0.234 4.563 4.340 -0.019 0.000 0.215 342 L C 2.411 179.248 176.870 -0.055 0.000 1.117 342 L CA 1.680 56.495 54.840 -0.043 0.000 0.782 342 L CB -1.094 40.944 42.059 -0.035 0.000 0.914 342 L HN 0.432 nan 8.230 nan 0.000 0.441 343 G N -2.242 106.518 108.800 -0.067 0.000 2.494 343 G HA2 -0.147 3.802 3.960 -0.019 0.000 0.216 343 G HA3 -0.147 3.802 3.960 -0.019 0.000 0.216 343 G C 1.228 176.041 174.900 -0.146 0.000 1.140 343 G CA 0.676 45.719 45.100 -0.094 0.000 0.801 343 G HN 0.523 nan 8.290 nan 0.000 0.536 344 C N 1.466 120.668 119.300 -0.164 0.000 2.697 344 C HA 0.254 4.703 4.460 -0.019 0.000 0.267 344 C C 1.225 176.163 174.990 -0.086 0.000 1.278 344 C CA -1.045 57.880 59.018 -0.155 0.000 1.708 344 C CB -1.397 26.240 27.740 -0.172 0.000 1.860 344 C HN 0.201 nan 8.230 nan 0.000 0.589 345 T N 1.940 116.454 114.554 -0.068 0.000 2.750 345 T HA -0.035 4.304 4.350 -0.019 0.000 0.277 345 T C 1.232 175.915 174.700 -0.029 0.000 0.996 345 T CA 0.872 62.947 62.100 -0.041 0.000 1.195 345 T CB 0.625 69.468 68.868 -0.042 0.000 0.963 345 T HN 0.600 nan 8.240 nan 0.000 0.516 346 S N 3.067 118.760 115.700 -0.012 0.000 2.468 346 S HA 0.229 4.688 4.470 -0.019 0.000 0.226 346 S C 0.565 175.173 174.600 0.015 0.000 1.051 346 S CA 0.029 58.229 58.200 0.000 0.000 0.943 346 S CB 0.417 63.623 63.200 0.010 0.000 0.810 346 S HN 0.467 nan 8.310 nan 0.000 0.509 347 V N 1.547 121.476 119.914 0.025 0.000 2.962 347 V HA 0.588 4.696 4.120 -0.019 0.000 0.313 347 V C -1.154 174.969 176.094 0.048 0.000 1.099 347 V CA -0.802 61.523 62.300 0.043 0.000 0.971 347 V CB 2.050 33.909 31.823 0.059 0.000 1.028 347 V HN 0.288 nan 8.190 nan 0.000 0.430 348 I N 2.447 123.060 120.570 0.072 0.000 2.500 348 I HA 0.389 4.548 4.170 -0.019 0.000 0.286 348 I C -0.989 175.202 176.117 0.123 0.000 1.063 348 I CA -0.211 61.148 61.300 0.097 0.000 1.062 348 I CB 1.751 39.831 38.000 0.133 0.000 1.223 348 I HN 0.533 nan 8.210 nan 0.000 0.435 349 C N 4.078 123.442 119.300 0.106 0.000 2.255 349 C HA 0.624 5.073 4.460 -0.019 0.000 0.326 349 C C 0.656 175.711 174.990 0.110 0.000 1.258 349 C CA -0.549 58.531 59.018 0.104 0.000 1.676 349 C CB 0.225 28.013 27.740 0.081 0.000 2.314 349 C HN 0.764 nan 8.230 nan 0.000 0.509 350 S N 1.417 117.183 115.700 0.112 0.000 2.607 350 S HA 0.492 4.951 4.470 -0.019 0.000 0.303 350 S C -0.669 173.961 174.600 0.049 0.000 1.086 350 S CA -0.422 57.847 58.200 0.116 0.000 0.995 350 S CB 0.793 64.131 63.200 0.229 0.000 1.084 350 S HN 0.747 nan 8.310 nan 0.000 0.507 351 D N 2.004 122.433 120.400 0.050 0.000 2.357 351 D HA 0.220 4.849 4.640 -0.019 0.000 0.242 351 D C 0.815 177.116 176.300 0.002 0.000 1.153 351 D CA -0.125 53.890 54.000 0.025 0.000 0.918 351 D CB 0.826 41.642 40.800 0.027 0.000 1.181 351 D HN 0.512 nan 8.370 nan 0.000 0.435 352 K N -0.142 120.252 120.400 -0.010 0.000 2.056 352 K HA -0.001 4.308 4.320 -0.019 0.000 0.205 352 K C 0.128 176.718 176.600 -0.016 0.000 1.035 352 K CA 0.387 56.654 56.287 -0.033 0.000 0.955 352 K CB -0.092 32.388 32.500 -0.033 0.000 0.769 352 K HN 0.554 nan 8.250 nan 0.000 0.447 353 T N -0.282 114.270 114.554 -0.003 0.000 2.908 353 T HA 0.225 4.564 4.350 -0.019 0.000 0.301 353 T C 1.037 175.746 174.700 0.015 0.000 1.019 353 T CA 0.290 62.393 62.100 0.006 0.000 1.152 353 T CB 0.780 69.653 68.868 0.009 0.000 0.966 353 T HN 0.598 nan 8.240 nan 0.000 0.540 354 G N 2.856 111.668 108.800 0.019 0.000 2.304 354 G HA2 -0.343 3.606 3.960 -0.019 0.000 0.252 354 G HA3 -0.343 3.606 3.960 -0.019 0.000 0.252 354 G C 0.863 175.787 174.900 0.040 0.000 1.014 354 G CA 0.697 45.814 45.100 0.029 0.000 0.619 354 G HN 0.837 nan 8.290 nan 0.000 0.525 355 T N 0.129 114.711 114.554 0.047 0.000 3.234 355 T HA 0.321 4.659 4.350 -0.019 0.000 0.235 355 T C 2.139 176.893 174.700 0.089 0.000 0.971 355 T CA 1.098 63.253 62.100 0.091 0.000 1.292 355 T CB -0.211 68.731 68.868 0.125 0.000 0.994 355 T HN 0.079 nan 8.240 nan 0.000 0.412 356 L N 1.898 123.124 121.223 0.005 0.000 2.056 356 L HA 0.142 4.471 4.340 -0.019 0.000 0.207 356 L C 1.625 178.469 176.870 -0.044 0.000 1.078 356 L CA 1.254 56.040 54.840 -0.089 0.000 0.749 356 L CB -0.917 41.021 42.059 -0.202 0.000 0.901 356 L HN 0.496 nan 8.230 nan 0.000 0.433 357 T N -5.707 108.832 114.554 -0.024 0.000 2.938 357 T HA 0.359 4.698 4.350 -0.019 0.000 0.285 357 T C 0.907 175.610 174.700 0.005 0.000 1.028 357 T CA 0.068 62.159 62.100 -0.015 0.000 1.005 357 T CB 1.381 70.235 68.868 -0.022 0.000 1.157 357 T HN 0.138 nan 8.240 nan 0.000 0.550 358 T N -1.930 112.626 114.554 0.003 0.000 3.144 358 T HA 0.190 4.529 4.350 -0.019 0.000 0.249 358 T C 0.893 175.610 174.700 0.028 0.000 1.089 358 T CA 0.189 62.298 62.100 0.015 0.000 0.989 358 T CB -1.181 67.692 68.868 0.007 0.000 0.992 358 T HN 0.891 nan 8.240 nan 0.000 0.540 359 N N 0.437 119.153 118.700 0.027 0.000 2.686 359 N HA -0.204 4.525 4.740 -0.019 0.000 0.249 359 N C -0.774 174.787 175.510 0.084 0.000 1.082 359 N CA 0.127 53.206 53.050 0.048 0.000 0.725 359 N CB -0.435 38.084 38.487 0.054 0.000 1.009 359 N HN 0.415 nan 8.380 nan 0.000 0.545 360 Q N 0.916 120.734 119.800 0.029 0.000 2.834 360 Q HA 0.332 4.661 4.340 -0.019 0.000 0.271 360 Q C -0.466 175.434 176.000 -0.167 0.000 1.196 360 Q CA -0.222 55.558 55.803 -0.038 0.000 1.063 360 Q CB 0.705 29.408 28.738 -0.059 0.000 1.265 360 Q HN 0.383 nan 8.270 nan 0.000 0.526 361 M N 1.502 121.042 119.600 -0.100 0.000 2.238 361 M HA 0.244 4.713 4.480 -0.019 0.000 0.350 361 M C -0.551 175.614 176.300 -0.224 0.000 1.321 361 M CA 0.435 55.678 55.300 -0.095 0.000 1.097 361 M CB 0.480 33.094 32.600 0.024 0.000 1.713 361 M HN 0.393 nan 8.290 nan 0.000 0.455 362 S N 4.199 119.798 115.700 -0.169 0.000 2.546 362 S HA 0.627 5.086 4.470 -0.019 0.000 0.272 362 S C -1.018 173.521 174.600 -0.102 0.000 1.140 362 S CA -1.128 56.969 58.200 -0.172 0.000 0.920 362 S CB 1.124 64.184 63.200 -0.233 0.000 1.083 362 S HN 0.549 nan 8.310 nan 0.000 0.476 363 V N 2.541 122.409 119.914 -0.078 0.000 2.637 363 V HA 0.277 4.386 4.120 -0.019 0.000 0.296 363 V C 1.120 177.164 176.094 -0.082 0.000 1.046 363 V CA 0.154 62.418 62.300 -0.059 0.000 1.066 363 V CB 0.475 32.274 31.823 -0.040 0.000 0.968 363 V HN 1.371 nan 8.190 nan 0.000 0.483 364 C N 2.137 121.376 119.300 -0.102 0.000 3.855 364 C HA 0.586 5.035 4.460 -0.019 0.000 0.293 364 C C -0.115 174.761 174.990 -0.189 0.000 2.137 364 C CA -0.899 58.042 59.018 -0.128 0.000 1.620 364 C CB -1.276 26.384 27.740 -0.133 0.000 3.244 364 C HN 0.804 nan 8.230 nan 0.000 0.501 365 K N 1.343 121.618 120.400 -0.208 0.000 2.587 365 K HA 0.731 5.040 4.320 -0.019 0.000 0.276 365 K C -1.369 175.233 176.600 0.004 0.000 0.956 365 K CA -0.216 55.881 56.287 -0.317 0.000 0.857 365 K CB 2.313 34.187 32.500 -1.044 0.000 1.431 365 K HN 0.578 nan 8.250 nan 0.000 0.420 366 M N 0.748 120.552 119.600 0.340 0.000 2.523 366 M HA 0.588 5.057 4.480 -0.019 0.000 0.287 366 M C -1.802 174.886 176.300 0.646 0.000 1.160 366 M CA -0.992 54.607 55.300 0.498 0.000 0.902 366 M CB 1.557 34.279 32.600 0.203 0.000 1.752 366 M HN 0.488 nan 8.290 nan 0.000 0.504 367 F N 1.533 121.704 119.950 0.368 0.000 2.645 367 F HA 0.962 5.478 4.527 -0.019 0.000 0.310 367 F C -1.641 174.263 175.800 0.172 0.000 1.102 367 F CA -1.011 57.136 58.000 0.246 0.000 0.952 367 F CB 1.348 40.429 39.000 0.135 0.000 1.326 367 F HN 0.836 nan 8.300 nan 0.000 0.456 368 I N -0.052 120.758 120.570 0.401 0.000 3.239 368 I HA 0.610 4.769 4.170 -0.019 0.000 0.314 368 I C -0.987 175.369 176.117 0.398 0.000 1.126 368 I CA -1.473 59.992 61.300 0.274 0.000 0.973 368 I CB 1.852 39.954 38.000 0.170 0.000 1.252 368 I HN 0.459 nan 8.210 nan 0.000 0.463 369 I N 1.899 122.669 120.570 0.333 0.000 2.638 369 I HA 0.109 4.268 4.170 -0.019 0.000 0.286 369 I C 0.489 176.711 176.117 0.175 0.000 1.088 369 I CA 0.513 61.973 61.300 0.267 0.000 1.397 369 I CB 0.721 38.872 38.000 0.253 0.000 1.414 369 I HN 0.842 nan 8.210 nan 0.000 0.566 370 D N 3.607 124.079 120.400 0.119 0.000 2.652 370 D HA 0.078 4.707 4.640 -0.019 0.000 0.261 370 D C 0.234 176.574 176.300 0.067 0.000 1.024 370 D CA 0.904 54.955 54.000 0.086 0.000 0.958 370 D CB 0.716 41.541 40.800 0.040 0.000 1.113 370 D HN 0.627 nan 8.370 nan 0.000 0.471 371 K N -0.923 119.505 120.400 0.047 0.000 2.568 371 K HA 0.544 4.853 4.320 -0.019 0.000 0.273 371 K C -2.126 174.502 176.600 0.047 0.000 0.951 371 K CA -0.917 55.389 56.287 0.032 0.000 0.854 371 K CB 2.121 34.610 32.500 -0.018 0.000 1.424 371 K HN -0.156 nan 8.250 nan 0.000 0.427 372 V N 2.287 122.236 119.914 0.058 0.000 2.482 372 V HA 0.388 4.496 4.120 -0.019 0.000 0.295 372 V C -1.495 174.649 176.094 0.083 0.000 1.026 372 V CA -0.444 61.905 62.300 0.082 0.000 0.856 372 V CB 1.552 33.422 31.823 0.077 0.000 1.001 372 V HN 0.869 nan 8.190 nan 0.000 0.424 373 D N 3.398 123.875 120.400 0.129 0.000 2.346 373 D HA 0.551 5.180 4.640 -0.019 0.000 0.255 373 D C 0.717 177.113 176.300 0.161 0.000 1.276 373 D CA 1.074 55.151 54.000 0.129 0.000 0.941 373 D CB 1.450 42.316 40.800 0.110 0.000 1.199 373 D HN 0.748 nan 8.370 nan 0.000 0.537 374 G N 4.266 113.123 108.800 0.095 0.000 4.026 374 G HA2 -0.348 3.601 3.960 -0.019 0.000 0.309 374 G HA3 -0.348 3.601 3.960 -0.019 0.000 0.309 374 G C 0.774 175.697 174.900 0.039 0.000 1.411 374 G CA 0.606 45.742 45.100 0.061 0.000 1.037 374 G HN 0.513 nan 8.290 nan 0.000 0.687 375 D N 0.115 120.526 120.400 0.019 0.000 2.431 375 D HA 0.182 4.811 4.640 -0.019 0.000 0.227 375 D C 0.785 177.081 176.300 -0.008 0.000 1.030 375 D CA -0.200 53.779 54.000 -0.035 0.000 0.897 375 D CB 0.183 40.916 40.800 -0.111 0.000 1.058 375 D HN 0.190 nan 8.370 nan 0.000 0.500 376 F N 1.586 121.527 119.950 -0.016 0.000 2.549 376 F HA -0.109 4.407 4.527 -0.019 0.000 0.400 376 F C 0.799 176.588 175.800 -0.018 0.000 1.011 376 F CA 0.102 58.092 58.000 -0.017 0.000 1.148 376 F CB 0.135 39.130 39.000 -0.008 0.000 0.993 376 F HN -0.062 nan 8.300 nan 0.000 0.540 377 C N 5.741 125.155 119.300 0.192 0.000 2.801 377 C HA 0.546 4.995 4.460 -0.019 0.000 0.296 377 C C -0.254 174.779 174.990 0.071 0.000 1.054 377 C CA -0.552 58.525 59.018 0.098 0.000 1.442 377 C CB -1.258 26.497 27.740 0.025 0.000 1.860 377 C HN 0.845 nan 8.230 nan 0.000 0.459 378 S N 5.509 121.256 115.700 0.078 0.000 2.554 378 S HA 0.780 5.239 4.470 -0.019 0.000 0.278 378 S C -0.676 173.926 174.600 0.003 0.000 1.242 378 S CA -0.615 57.606 58.200 0.036 0.000 1.051 378 S CB 1.089 64.303 63.200 0.023 0.000 0.986 378 S HN 0.729 nan 8.310 nan 0.000 0.502 379 L N 2.249 123.443 121.223 -0.048 0.000 2.325 379 L HA 0.479 4.808 4.340 -0.019 0.000 0.278 379 L C 0.093 176.922 176.870 -0.069 0.000 1.023 379 L CA -0.592 54.210 54.840 -0.063 0.000 0.811 379 L CB 1.587 43.502 42.059 -0.241 0.000 1.249 379 L HN 0.805 nan 8.230 nan 0.000 0.431 380 N N 2.405 121.085 118.700 -0.035 0.000 2.546 380 N HA 0.191 4.920 4.740 -0.019 0.000 0.238 380 N C -1.149 174.140 175.510 -0.368 0.000 0.984 380 N CA -0.438 52.486 53.050 -0.210 0.000 0.935 380 N CB 0.809 39.218 38.487 -0.129 0.000 1.122 380 N HN 0.619 nan 8.380 nan 0.000 0.510 381 E N 3.000 122.912 120.200 -0.480 0.000 2.234 381 E HA 0.353 4.692 4.350 -0.019 0.000 0.266 381 E C -1.260 175.052 176.600 -0.480 0.000 0.877 381 E CA -0.693 55.538 56.400 -0.283 0.000 0.758 381 E CB 1.164 30.943 29.700 0.131 0.000 1.170 381 E HN 0.175 nan 8.360 nan 0.000 0.415 382 F N 0.838 120.823 119.950 0.058 0.000 2.572 382 F HA 0.628 5.144 4.527 -0.019 0.000 0.342 382 F C 0.359 176.147 175.800 -0.021 0.000 1.064 382 F CA -1.079 56.909 58.000 -0.021 0.000 1.008 382 F CB 2.060 41.011 39.000 -0.082 0.000 1.303 382 F HN 0.357 nan 8.300 nan 0.000 0.492 383 S N 1.173 116.961 115.700 0.147 0.000 2.568 383 S HA 0.780 5.239 4.470 -0.019 0.000 0.293 383 S C -1.149 173.456 174.600 0.009 0.000 1.089 383 S CA -0.618 57.593 58.200 0.017 0.000 0.945 383 S CB 1.568 64.748 63.200 -0.034 0.000 1.077 383 S HN 0.322 nan 8.310 nan 0.000 0.485 384 I N 1.923 122.470 120.570 -0.039 0.000 2.740 384 I HA 0.567 4.726 4.170 -0.019 0.000 0.303 384 I C 0.166 176.247 176.117 -0.060 0.000 1.044 384 I CA -0.813 60.458 61.300 -0.048 0.000 1.064 384 I CB 1.272 39.236 38.000 -0.060 0.000 1.249 384 I HN 0.678 nan 8.210 nan 0.000 0.433 385 T N -0.524 113.996 114.554 -0.056 0.000 2.856 385 T HA 0.835 5.173 4.350 -0.019 0.000 0.283 385 T C -0.003 174.659 174.700 -0.064 0.000 1.008 385 T CA -0.707 61.359 62.100 -0.056 0.000 0.997 385 T CB 1.805 70.648 68.868 -0.042 0.000 0.992 385 T HN 1.490 nan 8.240 nan 0.000 0.454 386 G N 0.955 109.715 108.800 -0.068 0.000 3.326 386 G HA2 0.196 4.145 3.960 -0.019 0.000 0.681 386 G HA3 0.196 4.145 3.960 -0.019 0.000 0.681 386 G C 0.304 175.144 174.900 -0.099 0.000 1.255 386 G CA 0.052 45.106 45.100 -0.075 0.000 0.976 386 G HN 1.460 nan 8.290 nan 0.000 0.563 387 S N 0.702 116.345 115.700 -0.095 0.000 2.406 387 S HA 0.207 4.666 4.470 -0.019 0.000 0.224 387 S C 1.485 175.977 174.600 -0.180 0.000 1.030 387 S CA 1.763 59.890 58.200 -0.123 0.000 0.958 387 S CB 0.123 63.270 63.200 -0.090 0.000 0.811 387 S HN 1.559 nan 8.310 nan 0.000 0.489 388 T N -0.123 114.350 114.554 -0.134 0.000 2.766 388 T HA 0.259 4.598 4.350 -0.019 0.000 0.295 388 T C 0.251 174.835 174.700 -0.192 0.000 1.024 388 T CA -0.248 61.774 62.100 -0.130 0.000 1.018 388 T CB 0.139 69.003 68.868 -0.006 0.000 1.002 388 T HN 0.325 nan 8.240 nan 0.000 0.532 389 Y N 0.982 121.270 120.300 -0.020 0.000 2.578 389 Y HA 0.372 4.911 4.550 -0.019 0.000 0.297 389 Y C 1.521 177.304 175.900 -0.195 0.000 1.176 389 Y CA 0.032 58.099 58.100 -0.055 0.000 1.315 389 Y CB -0.629 37.839 38.460 0.012 0.000 1.031 389 Y HN 0.615 nan 8.280 nan 0.000 0.524 390 A N 1.784 124.525 122.820 -0.132 0.000 2.440 390 A HA 0.169 4.478 4.320 -0.019 0.000 0.251 390 A C -1.365 175.988 177.584 -0.384 0.000 1.089 390 A CA -1.214 50.518 52.037 -0.509 0.000 0.779 390 A CB 0.020 18.897 19.000 -0.206 0.000 1.022 390 A HN 0.095 nan 8.150 nan 0.000 0.492 391 P HA -0.080 nan 4.420 nan 0.000 0.249 391 P C -0.248 176.956 177.300 -0.159 0.000 1.227 391 P CA 0.816 63.767 63.100 -0.248 0.000 0.753 391 P CB -0.189 31.380 31.700 -0.218 0.000 0.966 392 E N 0.559 120.668 120.200 -0.152 0.000 2.089 392 E HA 0.529 4.867 4.350 -0.019 0.000 0.284 392 E C 0.754 177.313 176.600 -0.069 0.000 1.023 392 E CA -0.409 55.941 56.400 -0.082 0.000 0.819 392 E CB 0.730 30.401 29.700 -0.047 0.000 1.076 392 E HN 0.133 nan 8.360 nan 0.000 0.396 393 G N 2.721 111.486 108.800 -0.058 0.000 2.320 393 G HA2 0.262 4.210 3.960 -0.019 0.000 0.297 393 G HA3 0.262 4.210 3.960 -0.019 0.000 0.297 393 G C -1.654 173.219 174.900 -0.046 0.000 1.344 393 G CA -0.890 44.179 45.100 -0.052 0.000 0.851 393 G HN 0.485 nan 8.290 nan 0.000 0.567 394 E N -1.715 118.460 120.200 -0.041 0.000 2.429 394 E HA 0.687 5.026 4.350 -0.019 0.000 0.276 394 E C -1.380 175.201 176.600 -0.032 0.000 0.953 394 E CA -1.110 55.270 56.400 -0.034 0.000 0.787 394 E CB 2.346 32.035 29.700 -0.020 0.000 1.307 394 E HN 0.494 nan 8.360 nan 0.000 0.458 395 V N 1.669 121.565 119.914 -0.031 0.000 2.427 395 V HA 0.459 4.568 4.120 -0.019 0.000 0.286 395 V C -0.251 175.860 176.094 0.029 0.000 1.034 395 V CA -0.698 61.588 62.300 -0.024 0.000 0.893 395 V CB 0.564 32.334 31.823 -0.088 0.000 0.982 395 V HN 0.559 nan 8.190 nan 0.000 0.452 396 L N 2.314 123.578 121.223 0.067 0.000 2.409 396 L HA 0.730 5.059 4.340 -0.019 0.000 0.272 396 L C -0.636 176.315 176.870 0.135 0.000 0.980 396 L CA -0.768 54.126 54.840 0.090 0.000 0.826 396 L CB 1.643 43.728 42.059 0.044 0.000 1.268 396 L HN 0.505 nan 8.230 nan 0.000 0.407 397 K N 2.515 123.006 120.400 0.152 0.000 2.182 397 K HA 0.426 4.735 4.320 -0.019 0.000 0.262 397 K C 0.051 176.662 176.600 0.019 0.000 0.957 397 K CA -0.406 55.918 56.287 0.062 0.000 0.842 397 K CB 0.932 33.467 32.500 0.057 0.000 1.099 397 K HN 0.869 nan 8.250 nan 0.000 0.438 398 N N 2.996 121.680 118.700 -0.028 0.000 2.714 398 N HA -0.242 4.487 4.740 -0.019 0.000 0.250 398 N C -1.228 174.283 175.510 0.002 0.000 1.117 398 N CA 0.977 54.018 53.050 -0.014 0.000 0.719 398 N CB -0.800 37.685 38.487 -0.003 0.000 1.081 398 N HN 0.966 nan 8.380 nan 0.000 0.557 399 D N -0.539 119.864 120.400 0.005 0.000 2.739 399 D HA -0.177 4.452 4.640 -0.019 0.000 0.240 399 D C -0.582 175.727 176.300 0.015 0.000 1.114 399 D CA 1.682 55.685 54.000 0.006 0.000 0.695 399 D CB -0.330 40.468 40.800 -0.004 0.000 1.078 399 D HN 0.582 nan 8.370 nan 0.000 0.434 400 K N 0.124 120.542 120.400 0.030 0.000 2.592 400 K HA 0.307 4.616 4.320 -0.019 0.000 0.265 400 K C -2.892 173.740 176.600 0.055 0.000 1.006 400 K CA -1.553 54.756 56.287 0.035 0.000 0.907 400 K CB 1.511 34.032 32.500 0.035 0.000 1.309 400 K HN -0.229 nan 8.250 nan 0.000 0.452 401 P HA -0.066 nan 4.420 nan 0.000 0.258 401 P C -0.330 177.016 177.300 0.077 0.000 1.172 401 P CA 0.013 63.143 63.100 0.050 0.000 0.762 401 P CB 0.140 31.857 31.700 0.029 0.000 0.764 402 I N 1.580 122.216 120.570 0.109 0.000 2.797 402 I HA 0.529 4.688 4.170 -0.019 0.000 0.307 402 I C -0.304 175.885 176.117 0.119 0.000 1.033 402 I CA -1.966 59.432 61.300 0.162 0.000 1.071 402 I CB 2.138 40.333 38.000 0.324 0.000 1.255 402 I HN 0.262 nan 8.210 nan 0.000 0.445 403 R N 3.240 123.810 120.500 0.116 0.000 2.210 403 R HA 0.297 4.626 4.340 -0.019 0.000 0.338 403 R C 0.308 176.652 176.300 0.075 0.000 1.062 403 R CA -0.061 56.071 56.100 0.053 0.000 0.902 403 R CB 0.827 31.136 30.300 0.015 0.000 1.050 403 R HN 0.822 nan 8.270 nan 0.000 0.461 404 S N 3.002 118.702 115.700 -0.000 0.000 2.402 404 S HA -0.145 4.314 4.470 -0.019 0.000 0.233 404 S C 1.604 176.183 174.600 -0.036 0.000 1.030 404 S CA 1.678 59.840 58.200 -0.065 0.000 1.003 404 S CB -0.032 63.066 63.200 -0.170 0.000 0.813 404 S HN 0.898 nan 8.310 nan 0.000 0.477 405 G N 0.075 108.829 108.800 -0.076 0.000 2.744 405 G HA2 -0.062 3.887 3.960 -0.019 0.000 0.211 405 G HA3 -0.062 3.887 3.960 -0.019 0.000 0.211 405 G C 1.110 175.951 174.900 -0.100 0.000 1.143 405 G CA -0.052 44.969 45.100 -0.132 0.000 0.788 405 G HN 0.476 nan 8.290 nan 0.000 0.534 406 Q N -0.747 118.990 119.800 -0.104 0.000 2.435 406 Q HA 0.132 4.461 4.340 -0.019 0.000 0.207 406 Q C -0.341 175.420 176.000 -0.399 0.000 0.956 406 Q CA 0.180 55.825 55.803 -0.264 0.000 0.917 406 Q CB 0.129 28.645 28.738 -0.370 0.000 0.997 406 Q HN 0.499 nan 8.270 nan 0.000 0.497 407 F N 0.716 120.644 119.950 -0.036 0.000 2.361 407 F HA 0.144 4.660 4.527 -0.018 0.000 0.364 407 F C 0.851 176.629 175.800 -0.036 0.000 1.120 407 F CA -0.843 57.160 58.000 0.004 0.000 1.102 407 F CB 1.059 40.100 39.000 0.069 0.000 1.183 407 F HN -0.125 nan 8.300 nan 0.000 0.476 408 D N 2.807 123.268 120.400 0.102 0.000 2.133 408 D HA -0.193 4.436 4.640 -0.019 0.000 0.192 408 D C 2.310 178.634 176.300 0.040 0.000 1.001 408 D CA 1.790 55.816 54.000 0.044 0.000 0.844 408 D CB -0.224 40.600 40.800 0.040 0.000 0.944 408 D HN 0.783 nan 8.370 nan 0.000 0.447 409 G N 0.646 109.500 108.800 0.090 0.000 2.450 409 G HA2 -0.201 3.748 3.960 -0.019 0.000 0.220 409 G HA3 -0.201 3.748 3.960 -0.019 0.000 0.220 409 G C 1.822 176.717 174.900 -0.009 0.000 1.130 409 G CA 0.181 45.312 45.100 0.051 0.000 0.760 409 G HN 0.267 nan 8.290 nan 0.000 0.557 410 L N 0.294 121.517 121.223 0.000 0.000 2.201 410 L HA -0.052 4.277 4.340 -0.019 0.000 0.212 410 L C 2.933 179.706 176.870 -0.161 0.000 1.105 410 L CA 0.209 54.980 54.840 -0.116 0.000 0.775 410 L CB -0.241 41.699 42.059 -0.199 0.000 0.913 410 L HN 0.111 nan 8.230 nan 0.000 0.440 411 V N -0.338 119.487 119.914 -0.149 0.000 2.261 411 V HA -0.281 3.828 4.120 -0.019 0.000 0.246 411 V C 2.372 178.353 176.094 -0.188 0.000 1.047 411 V CA 1.748 63.910 62.300 -0.229 0.000 1.015 411 V CB -0.469 31.216 31.823 -0.230 0.000 0.642 411 V HN 0.441 nan 8.190 nan 0.000 0.446 412 E N -0.192 119.928 120.200 -0.133 0.000 2.118 412 E HA -0.210 4.129 4.350 -0.019 0.000 0.195 412 E C 2.226 178.709 176.600 -0.195 0.000 0.992 412 E CA 1.155 57.467 56.400 -0.146 0.000 0.804 412 E CB -0.220 29.425 29.700 -0.091 0.000 0.741 412 E HN 0.385 nan 8.360 nan 0.000 0.458 413 L N 0.755 121.872 121.223 -0.176 0.000 2.042 413 L HA -0.179 4.150 4.340 -0.019 0.000 0.210 413 L C 2.161 178.920 176.870 -0.185 0.000 1.076 413 L CA 2.167 56.896 54.840 -0.184 0.000 0.749 413 L CB -0.909 41.050 42.059 -0.167 0.000 0.893 413 L HN 0.016 nan 8.230 nan 0.000 0.432 414 A N -1.480 121.225 122.820 -0.191 0.000 1.975 414 A HA -0.086 4.223 4.320 -0.019 0.000 0.215 414 A C 2.141 179.614 177.584 -0.184 0.000 1.170 414 A CA 1.413 53.345 52.037 -0.175 0.000 0.656 414 A CB -0.671 18.218 19.000 -0.184 0.000 0.821 414 A HN 0.476 nan 8.150 nan 0.000 0.449 415 T N 0.746 115.163 114.554 -0.227 0.000 2.652 415 T HA -0.148 4.190 4.350 -0.019 0.000 0.267 415 T C 1.800 176.232 174.700 -0.445 0.000 1.039 415 T CA 1.750 63.672 62.100 -0.296 0.000 1.153 415 T CB -0.433 68.226 68.868 -0.348 0.000 0.863 415 T HN 0.416 nan 8.240 nan 0.000 0.428 416 I N 0.573 120.840 120.570 -0.504 0.000 2.226 416 I HA -0.191 3.968 4.170 -0.019 0.000 0.245 416 I C 2.707 178.693 176.117 -0.218 0.000 1.100 416 I CA 0.806 61.838 61.300 -0.447 0.000 1.374 416 I CB -0.459 37.376 38.000 -0.276 0.000 1.057 416 I HN 0.317 nan 8.210 nan 0.000 0.413 417 C N 0.597 119.795 119.300 -0.170 0.000 2.409 417 C HA -0.143 4.306 4.460 -0.019 0.000 0.284 417 C C 2.936 177.880 174.990 -0.076 0.000 1.354 417 C CA 1.191 60.150 59.018 -0.100 0.000 1.787 417 C CB -1.214 26.471 27.740 -0.093 0.000 1.900 417 C HN 0.612 nan 8.230 nan 0.000 0.520 418 A N -0.960 121.800 122.820 -0.099 0.000 1.973 418 A HA 0.238 4.547 4.320 -0.019 0.000 0.210 418 A C 1.929 179.486 177.584 -0.044 0.000 1.200 418 A CA 0.564 52.566 52.037 -0.059 0.000 0.707 418 A CB -0.261 18.709 19.000 -0.050 0.000 0.862 418 A HN 0.510 nan 8.150 nan 0.000 0.461 419 L N -1.272 119.902 121.223 -0.082 0.000 2.270 419 L HA -0.005 4.324 4.340 -0.019 0.000 0.210 419 L C 1.852 178.745 176.870 0.038 0.000 1.104 419 L CA 0.453 55.284 54.840 -0.015 0.000 0.804 419 L CB -0.086 41.966 42.059 -0.012 0.000 0.937 419 L HN 0.481 nan 8.230 nan 0.000 0.450 420 C N 1.298 120.608 119.300 0.017 0.000 2.319 420 C HA 0.230 4.679 4.460 -0.019 0.000 0.350 420 C C 0.566 175.583 174.990 0.045 0.000 1.326 420 C CA -0.499 58.555 59.018 0.060 0.000 1.737 420 C CB -2.065 25.720 27.740 0.076 0.000 1.988 420 C HN 0.301 nan 8.230 nan 0.000 0.582 421 N N 0.623 119.341 118.700 0.030 0.000 2.284 421 N HA 0.279 5.008 4.740 -0.019 0.000 0.300 421 N C -0.643 174.886 175.510 0.032 0.000 1.047 421 N CA -0.004 53.062 53.050 0.026 0.000 0.821 421 N CB 1.581 40.073 38.487 0.009 0.000 1.337 421 N HN 0.184 nan 8.380 nan 0.000 0.482 422 D N 0.447 120.867 120.400 0.033 0.000 2.462 422 D HA 0.300 4.929 4.640 -0.019 0.000 0.221 422 D C -0.379 175.932 176.300 0.019 0.000 1.173 422 D CA 0.293 54.313 54.000 0.033 0.000 0.831 422 D CB 0.572 41.399 40.800 0.045 0.000 1.001 422 D HN 0.283 nan 8.370 nan 0.000 0.499 423 S N -1.012 114.695 115.700 0.011 0.000 2.841 423 S HA 0.859 5.317 4.470 -0.019 0.000 0.318 423 S C -0.421 174.177 174.600 -0.004 0.000 1.127 423 S CA -0.571 57.627 58.200 -0.003 0.000 0.883 423 S CB 1.892 65.082 63.200 -0.016 0.000 1.271 423 S HN 0.171 nan 8.310 nan 0.000 0.567 424 S N -0.618 115.071 115.700 -0.017 0.000 2.643 424 S HA 0.609 5.068 4.470 -0.019 0.000 0.266 424 S C -1.724 172.864 174.600 -0.019 0.000 1.130 424 S CA -0.884 57.312 58.200 -0.006 0.000 0.817 424 S CB 0.206 63.412 63.200 0.009 0.000 1.107 424 S HN 0.492 nan 8.310 nan 0.000 0.471 425 L N 0.762 121.998 121.223 0.021 0.000 2.358 425 L HA 0.830 5.159 4.340 -0.019 0.000 0.268 425 L C -0.964 175.966 176.870 0.100 0.000 1.032 425 L CA -0.505 54.371 54.840 0.059 0.000 0.805 425 L CB 1.587 43.720 42.059 0.124 0.000 1.253 425 L HN 0.925 nan 8.230 nan 0.000 0.452 426 D N -0.184 120.302 120.400 0.143 0.000 2.977 426 D HA 0.242 4.871 4.640 -0.019 0.000 0.220 426 D C -1.395 174.996 176.300 0.153 0.000 1.267 426 D CA -0.447 53.631 54.000 0.129 0.000 0.884 426 D CB 1.428 42.252 40.800 0.041 0.000 1.667 426 D HN 0.141 nan 8.370 nan 0.000 0.536 427 F N 3.711 123.614 119.950 -0.078 0.000 2.438 427 F HA 0.390 4.906 4.527 -0.019 0.000 0.356 427 F C 0.095 175.784 175.800 -0.185 0.000 1.099 427 F CA -0.561 57.247 58.000 -0.319 0.000 1.185 427 F CB 0.563 39.273 39.000 -0.483 0.000 1.115 427 F HN 0.245 nan 8.300 nan 0.000 0.526 428 N N 5.322 123.489 118.700 -0.889 0.000 2.444 428 N HA 0.046 4.775 4.740 -0.019 0.000 0.271 428 N C 0.707 175.553 175.510 -1.106 0.000 1.069 428 N CA -0.022 52.596 53.050 -0.722 0.000 0.965 428 N CB 0.928 39.166 38.487 -0.416 0.000 1.092 428 N HN 0.673 nan 8.380 nan 0.000 0.476 429 E N 2.053 121.887 120.200 -0.610 0.000 2.076 429 E HA -0.069 4.270 4.350 -0.019 0.000 0.190 429 E C 1.112 177.553 176.600 -0.266 0.000 0.979 429 E CA 1.182 57.340 56.400 -0.403 0.000 0.807 429 E CB -0.109 29.494 29.700 -0.162 0.000 0.761 429 E HN 0.644 nan 8.360 nan 0.000 0.454 430 T N 2.113 116.537 114.554 -0.217 0.000 2.564 430 T HA -0.139 4.200 4.350 -0.019 0.000 0.259 430 T C 1.849 176.470 174.700 -0.131 0.000 1.087 430 T CA 1.510 63.529 62.100 -0.135 0.000 1.184 430 T CB -0.247 68.557 68.868 -0.106 0.000 0.864 430 T HN -0.008 nan 8.240 nan 0.000 0.403 431 K N 0.783 121.093 120.400 -0.149 0.000 2.281 431 K HA 0.133 4.442 4.320 -0.019 0.000 0.203 431 K C 1.541 178.078 176.600 -0.105 0.000 1.046 431 K CA 0.860 57.084 56.287 -0.105 0.000 0.938 431 K CB -0.648 31.798 32.500 -0.090 0.000 0.737 431 K HN 0.571 nan 8.250 nan 0.000 0.458 432 G N 0.107 108.773 108.800 -0.224 0.000 2.143 432 G HA2 -0.233 3.716 3.960 -0.019 0.000 0.248 432 G HA3 -0.233 3.716 3.960 -0.019 0.000 0.248 432 G C 0.038 174.956 174.900 0.030 0.000 0.991 432 G CA 0.306 45.332 45.100 -0.124 0.000 0.689 432 G HN 0.414 nan 8.290 nan 0.000 0.522 433 V N -3.589 116.235 119.914 -0.150 0.000 3.040 433 V HA 0.869 4.978 4.120 -0.019 0.000 0.312 433 V C 0.343 176.447 176.094 0.018 0.000 1.115 433 V CA -2.421 59.952 62.300 0.122 0.000 0.998 433 V CB 1.310 33.222 31.823 0.148 0.000 1.042 433 V HN 0.369 nan 8.190 nan 0.000 0.433 434 Y N 1.100 121.559 120.300 0.264 0.000 2.426 434 Y HA 0.508 5.047 4.550 -0.019 0.000 0.344 434 Y C 0.924 176.870 175.900 0.078 0.000 1.256 434 Y CA 0.353 58.583 58.100 0.217 0.000 1.451 434 Y CB 0.394 38.994 38.460 0.234 0.000 1.342 434 Y HN 0.649 nan 8.280 nan 0.000 0.600 435 E N 1.024 121.323 120.200 0.166 0.000 2.288 435 E HA 0.237 4.576 4.350 -0.019 0.000 0.268 435 E C -1.105 175.446 176.600 -0.082 0.000 0.885 435 E CA -1.138 55.274 56.400 0.019 0.000 0.767 435 E CB 2.163 31.846 29.700 -0.028 0.000 1.220 435 E HN 0.544 nan 8.360 nan 0.000 0.427 436 K N -0.409 119.842 120.400 -0.248 0.000 2.144 436 K HA 0.487 4.796 4.320 -0.019 0.000 0.270 436 K C -0.651 175.837 176.600 -0.185 0.000 1.005 436 K CA -0.578 55.475 56.287 -0.390 0.000 0.932 436 K CB 0.943 33.021 32.500 -0.703 0.000 1.021 436 K HN 0.129 nan 8.250 nan 0.000 0.462 437 V N 2.971 122.799 119.914 -0.143 0.000 2.380 437 V HA 0.500 4.608 4.120 -0.019 0.000 0.272 437 V C 0.472 176.528 176.094 -0.063 0.000 1.011 437 V CA 0.289 62.543 62.300 -0.076 0.000 0.826 437 V CB -0.048 31.750 31.823 -0.041 0.000 1.040 437 V HN 1.203 nan 8.190 nan 0.000 0.441 438 G N 4.814 113.579 108.800 -0.059 0.000 2.214 438 G HA2 -0.060 3.888 3.960 -0.019 0.000 0.200 438 G HA3 -0.060 3.888 3.960 -0.019 0.000 0.200 438 G C -0.596 174.280 174.900 -0.039 0.000 1.126 438 G CA -0.230 44.847 45.100 -0.038 0.000 1.284 438 G HN 0.614 nan 8.290 nan 0.000 0.493 439 E N 1.234 121.415 120.200 -0.032 0.000 2.175 439 E HA 0.759 5.098 4.350 -0.019 0.000 0.278 439 E C 1.152 177.746 176.600 -0.010 0.000 0.969 439 E CA 0.600 56.986 56.400 -0.023 0.000 0.796 439 E CB 1.332 31.017 29.700 -0.024 0.000 1.104 439 E HN 1.093 nan 8.360 nan 0.000 0.395 440 A N 3.043 125.873 122.820 0.017 0.000 1.940 440 A HA -0.205 4.104 4.320 -0.019 0.000 0.219 440 A C 1.846 179.516 177.584 0.143 0.000 1.176 440 A CA 2.379 54.479 52.037 0.104 0.000 0.631 440 A CB -0.862 18.219 19.000 0.134 0.000 0.814 440 A HN 0.736 nan 8.150 nan 0.000 0.446 441 T N -0.336 114.258 114.554 0.067 0.000 2.777 441 T HA -0.129 4.210 4.350 -0.019 0.000 0.266 441 T C 1.732 176.465 174.700 0.056 0.000 1.040 441 T CA 1.507 63.639 62.100 0.052 0.000 1.141 441 T CB -0.246 68.627 68.868 0.008 0.000 0.868 441 T HN 0.655 nan 8.240 nan 0.000 0.444 442 E N 0.763 120.985 120.200 0.037 0.000 2.072 442 E HA -0.064 4.274 4.350 -0.019 0.000 0.190 442 E C 2.444 179.070 176.600 0.044 0.000 0.982 442 E CA 1.207 57.625 56.400 0.030 0.000 0.803 442 E CB -0.197 29.511 29.700 0.013 0.000 0.755 442 E HN 0.410 nan 8.360 nan 0.000 0.453 443 T N 1.006 115.587 114.554 0.046 0.000 2.833 443 T HA -0.148 4.190 4.350 -0.019 0.000 0.269 443 T C 1.924 176.739 174.700 0.191 0.000 1.054 443 T CA 1.073 63.194 62.100 0.035 0.000 1.135 443 T CB -0.133 68.628 68.868 -0.178 0.000 0.869 443 T HN 0.202 nan 8.240 nan 0.000 0.466 444 A N 0.972 123.950 122.820 0.264 0.000 1.969 444 A HA 0.068 4.377 4.320 -0.019 0.000 0.218 444 A C 2.119 179.748 177.584 0.074 0.000 1.169 444 A CA 0.902 53.053 52.037 0.189 0.000 0.635 444 A CB -0.549 18.513 19.000 0.103 0.000 0.810 444 A HN 0.333 nan 8.150 nan 0.000 0.445 445 L N -0.535 120.720 121.223 0.054 0.000 2.109 445 L HA -0.067 4.262 4.340 -0.019 0.000 0.207 445 L C 2.629 179.502 176.870 0.005 0.000 1.086 445 L CA 2.252 57.100 54.840 0.014 0.000 0.760 445 L CB -1.243 40.821 42.059 0.008 0.000 0.910 445 L HN 0.332 nan 8.230 nan 0.000 0.437 446 T N -1.389 113.179 114.554 0.023 0.000 2.821 446 T HA -0.150 4.189 4.350 -0.019 0.000 0.267 446 T C 1.711 176.417 174.700 0.010 0.000 1.046 446 T CA 1.800 63.907 62.100 0.013 0.000 1.139 446 T CB -0.174 68.705 68.868 0.018 0.000 0.871 446 T HN 0.345 nan 8.240 nan 0.000 0.454 447 T N 2.127 116.702 114.554 0.035 0.000 2.915 447 T HA 0.038 4.377 4.350 -0.019 0.000 0.269 447 T C 1.816 176.496 174.700 -0.033 0.000 1.071 447 T CA 0.506 62.610 62.100 0.006 0.000 1.132 447 T CB -0.267 68.630 68.868 0.048 0.000 0.878 447 T HN 0.140 nan 8.240 nan 0.000 0.479 448 L N 2.390 123.595 121.223 -0.029 0.000 2.023 448 L HA 0.010 4.339 4.340 -0.019 0.000 0.205 448 L C 2.562 179.392 176.870 -0.067 0.000 1.073 448 L CA 1.511 56.319 54.840 -0.053 0.000 0.745 448 L CB -0.825 41.204 42.059 -0.051 0.000 0.900 448 L HN 0.226 nan 8.230 nan 0.000 0.435 449 V N -2.752 117.126 119.914 -0.061 0.000 2.867 449 V HA -0.123 3.986 4.120 -0.019 0.000 0.260 449 V C 2.221 178.281 176.094 -0.057 0.000 1.099 449 V CA 1.458 63.716 62.300 -0.070 0.000 1.122 449 V CB -0.895 30.891 31.823 -0.061 0.000 0.708 449 V HN 0.488 nan 8.190 nan 0.000 0.490 450 E N 1.418 121.589 120.200 -0.049 0.000 2.005 450 E HA -0.094 4.245 4.350 -0.019 0.000 0.191 450 E C 2.182 178.746 176.600 -0.059 0.000 0.987 450 E CA 1.453 57.825 56.400 -0.046 0.000 0.814 450 E CB -0.459 29.209 29.700 -0.054 0.000 0.772 450 E HN 0.631 nan 8.360 nan 0.000 0.453 451 K N 0.459 120.816 120.400 -0.071 0.000 2.077 451 K HA -0.191 4.118 4.320 -0.019 0.000 0.213 451 K C 2.345 178.898 176.600 -0.078 0.000 1.051 451 K CA 1.915 58.157 56.287 -0.074 0.000 0.929 451 K CB -0.306 32.147 32.500 -0.078 0.000 0.715 451 K HN 0.105 nan 8.250 nan 0.000 0.451 452 M N 0.140 119.683 119.600 -0.095 0.000 2.082 452 M HA -0.188 4.281 4.480 -0.019 0.000 0.258 452 M C 0.729 176.966 176.300 -0.105 0.000 1.071 452 M CA 1.063 56.291 55.300 -0.121 0.000 1.103 452 M CB -0.531 31.977 32.600 -0.154 0.000 1.307 452 M HN 0.187 nan 8.290 nan 0.000 0.409 453 N N 0.372 119.019 118.700 -0.088 0.000 2.708 453 N HA -0.120 4.609 4.740 -0.019 0.000 0.255 453 N C 0.355 175.806 175.510 -0.098 0.000 1.046 453 N CA 0.616 53.630 53.050 -0.059 0.000 0.715 453 N CB -0.808 37.659 38.487 -0.032 0.000 0.895 453 N HN 0.388 nan 8.380 nan 0.000 0.545 454 V N -2.617 117.173 119.914 -0.207 0.000 3.026 454 V HA -0.015 4.093 4.120 -0.019 0.000 0.265 454 V C 1.450 177.262 176.094 -0.471 0.000 1.121 454 V CA 1.555 63.629 62.300 -0.376 0.000 1.142 454 V CB -0.760 30.737 31.823 -0.543 0.000 0.730 454 V HN 0.268 nan 8.190 nan 0.000 0.503 455 F N 0.666 120.594 119.950 -0.036 0.000 2.682 455 F HA 0.442 4.958 4.527 -0.019 0.000 0.308 455 F C 1.113 176.897 175.800 -0.026 0.000 1.093 455 F CA -0.562 57.419 58.000 -0.030 0.000 1.244 455 F CB -0.736 38.246 39.000 -0.030 0.000 1.052 455 F HN 0.233 nan 8.300 nan 0.000 0.573 456 N N 0.085 118.847 118.700 0.103 0.000 2.758 456 N HA -0.171 4.558 4.740 -0.019 0.000 0.248 456 N C -0.379 175.169 175.510 0.064 0.000 1.076 456 N CA 0.617 53.702 53.050 0.060 0.000 0.696 456 N CB -1.146 37.367 38.487 0.044 0.000 0.979 456 N HN 0.014 nan 8.380 nan 0.000 0.550 457 T N 0.897 115.498 114.554 0.078 0.000 2.916 457 T HA -0.012 4.327 4.350 -0.019 0.000 0.303 457 T C 0.428 175.145 174.700 0.027 0.000 1.025 457 T CA -0.059 62.072 62.100 0.052 0.000 1.142 457 T CB 0.657 69.559 68.868 0.057 0.000 0.947 457 T HN 0.016 nan 8.240 nan 0.000 0.544 458 E N 2.672 122.882 120.200 0.017 0.000 2.383 458 E HA 0.063 4.402 4.350 -0.019 0.000 0.257 458 E C 0.885 177.489 176.600 0.007 0.000 1.079 458 E CA 0.011 56.417 56.400 0.009 0.000 0.934 458 E CB 0.401 30.104 29.700 0.005 0.000 0.978 458 E HN 0.543 nan 8.360 nan 0.000 0.462 459 V N 1.900 121.817 119.914 0.004 0.000 3.451 459 V HA 0.140 4.249 4.120 -0.019 0.000 0.288 459 V C 1.509 177.601 176.094 -0.003 0.000 1.502 459 V CA 0.199 62.500 62.300 0.002 0.000 1.026 459 V CB 0.008 31.832 31.823 0.002 0.000 0.840 459 V HN 0.507 nan 8.190 nan 0.000 0.437 460 R N 0.346 120.844 120.500 -0.004 0.000 2.246 460 R HA 0.231 4.560 4.340 -0.019 0.000 0.199 460 R C 1.043 177.337 176.300 -0.009 0.000 0.984 460 R CA 0.948 57.044 56.100 -0.008 0.000 1.015 460 R CB -0.460 29.836 30.300 -0.007 0.000 0.930 460 R HN 0.427 nan 8.270 nan 0.000 0.475 461 N N 0.617 119.313 118.700 -0.007 0.000 2.280 461 N HA 0.188 4.917 4.740 -0.019 0.000 0.192 461 N C 0.004 175.509 175.510 -0.009 0.000 1.109 461 N CA 0.110 53.156 53.050 -0.007 0.000 0.855 461 N CB 0.423 38.907 38.487 -0.005 0.000 0.974 461 N HN 0.155 nan 8.380 nan 0.000 0.482 462 L N 0.086 121.304 121.223 -0.009 0.000 2.469 462 L HA 0.318 4.647 4.340 -0.019 0.000 0.253 462 L C 0.923 177.779 176.870 -0.023 0.000 1.143 462 L CA -0.554 54.281 54.840 -0.010 0.000 0.804 462 L CB 0.776 42.834 42.059 -0.002 0.000 1.214 462 L HN 0.009 nan 8.230 nan 0.000 0.476 463 S N -0.982 114.700 115.700 -0.030 0.000 2.681 463 S HA 0.346 4.805 4.470 -0.019 0.000 0.299 463 S C 0.581 175.115 174.600 -0.109 0.000 1.113 463 S CA -0.824 57.338 58.200 -0.064 0.000 1.013 463 S CB 1.932 65.103 63.200 -0.047 0.000 1.076 463 S HN 0.479 nan 8.310 nan 0.000 0.534 464 K N 0.871 121.121 120.400 -0.250 0.000 2.090 464 K HA -0.155 4.154 4.320 -0.019 0.000 0.218 464 K C 1.841 178.254 176.600 -0.313 0.000 1.055 464 K CA 2.155 58.125 56.287 -0.528 0.000 0.941 464 K CB -1.252 30.386 32.500 -1.435 0.000 0.722 464 K HN 0.521 nan 8.250 nan 0.000 0.458 465 V N 0.481 120.319 119.914 -0.127 0.000 2.358 465 V HA -0.215 3.894 4.120 -0.019 0.000 0.246 465 V C 1.866 177.998 176.094 0.064 0.000 1.047 465 V CA 1.981 64.322 62.300 0.067 0.000 1.035 465 V CB -0.401 31.493 31.823 0.119 0.000 0.658 465 V HN 0.387 nan 8.190 nan 0.000 0.452 466 E N 0.209 120.427 120.200 0.030 0.000 2.152 466 E HA -0.207 4.132 4.350 -0.019 0.000 0.192 466 E C 2.269 178.894 176.600 0.043 0.000 0.983 466 E CA 1.146 57.566 56.400 0.033 0.000 0.818 466 E CB -0.131 29.579 29.700 0.016 0.000 0.758 466 E HN 0.668 nan 8.360 nan 0.000 0.467 467 R N 0.692 121.220 120.500 0.046 0.000 2.210 467 R HA 0.199 4.528 4.340 -0.019 0.000 0.203 467 R C 2.101 178.452 176.300 0.086 0.000 1.010 467 R CA 0.929 57.060 56.100 0.051 0.000 1.008 467 R CB -0.193 30.126 30.300 0.031 0.000 0.923 467 R HN 0.053 nan 8.270 nan 0.000 0.469 468 A N 1.933 124.858 122.820 0.175 0.000 1.896 468 A HA -0.211 4.097 4.320 -0.019 0.000 0.220 468 A C 1.172 178.817 177.584 0.102 0.000 1.206 468 A CA 1.933 54.109 52.037 0.231 0.000 0.647 468 A CB -0.588 18.646 19.000 0.390 0.000 0.828 468 A HN 0.522 nan 8.150 nan 0.000 0.455 469 N N -0.838 117.914 118.700 0.087 0.000 2.380 469 N HA 0.442 5.171 4.740 -0.019 0.000 0.255 469 N C 1.011 176.544 175.510 0.038 0.000 1.158 469 N CA 0.655 53.737 53.050 0.053 0.000 0.878 469 N CB 0.304 38.822 38.487 0.052 0.000 1.138 469 N HN 0.469 nan 8.380 nan 0.000 0.509 470 A N 0.345 123.186 122.820 0.036 0.000 1.828 470 A HA -0.162 4.146 4.320 -0.019 0.000 0.215 470 A C 2.254 179.855 177.584 0.028 0.000 1.203 470 A CA 1.425 53.479 52.037 0.028 0.000 0.614 470 A CB -0.926 18.089 19.000 0.025 0.000 0.844 470 A HN 0.456 nan 8.150 nan 0.000 0.445 471 C N -0.176 119.142 119.300 0.029 0.000 2.425 471 C HA -0.095 4.354 4.460 -0.019 0.000 0.277 471 C C 2.644 177.664 174.990 0.049 0.000 1.280 471 C CA 0.778 59.824 59.018 0.047 0.000 1.744 471 C CB -1.812 25.948 27.740 0.033 0.000 1.989 471 C HN 0.627 nan 8.230 nan 0.000 0.491 472 N N 1.358 120.074 118.700 0.027 0.000 2.037 472 N HA -0.163 4.566 4.740 -0.019 0.000 0.196 472 N C 1.893 177.418 175.510 0.024 0.000 1.034 472 N CA 1.997 55.059 53.050 0.020 0.000 0.861 472 N CB -0.359 38.137 38.487 0.014 0.000 1.039 472 N HN 0.487 nan 8.380 nan 0.000 0.427 473 S N 0.731 116.445 115.700 0.023 0.000 2.359 473 S HA -0.110 4.348 4.470 -0.019 0.000 0.223 473 S C 2.250 176.855 174.600 0.008 0.000 1.039 473 S CA 1.147 59.356 58.200 0.016 0.000 1.042 473 S CB -0.453 62.756 63.200 0.015 0.000 0.915 473 S HN 0.151 nan 8.310 nan 0.000 0.439 474 V N 1.821 121.743 119.914 0.013 0.000 2.546 474 V HA -0.183 3.926 4.120 -0.019 0.000 0.254 474 V C 1.887 177.967 176.094 -0.023 0.000 1.076 474 V CA 1.495 63.786 62.300 -0.015 0.000 1.087 474 V CB -0.777 31.050 31.823 0.008 0.000 0.674 474 V HN 0.478 nan 8.190 nan 0.000 0.470 475 I N -0.749 119.844 120.570 0.039 0.000 2.703 475 I HA -0.052 4.107 4.170 -0.019 0.000 0.259 475 I C 2.484 178.612 176.117 0.018 0.000 1.151 475 I CA 0.735 62.070 61.300 0.057 0.000 1.470 475 I CB -0.280 37.772 38.000 0.087 0.000 1.112 475 I HN 0.178 nan 8.210 nan 0.000 0.437 476 R N 0.614 121.121 120.500 0.012 0.000 2.316 476 R HA -0.088 4.241 4.340 -0.019 0.000 0.202 476 R C 1.985 178.288 176.300 0.005 0.000 1.029 476 R CA 0.573 56.681 56.100 0.013 0.000 1.018 476 R CB -0.009 30.300 30.300 0.015 0.000 0.888 476 R HN 0.405 nan 8.270 nan 0.000 0.471 477 Q N 0.271 120.063 119.800 -0.013 0.000 2.123 477 Q HA -0.005 4.324 4.340 -0.019 0.000 0.196 477 Q C 2.158 178.140 176.000 -0.031 0.000 0.958 477 Q CA 0.727 56.514 55.803 -0.028 0.000 0.841 477 Q CB -0.110 28.596 28.738 -0.052 0.000 0.915 477 Q HN 0.257 nan 8.270 nan 0.000 0.455 478 L N -0.324 120.875 121.223 -0.041 0.000 2.017 478 L HA -0.033 4.295 4.340 -0.019 0.000 0.208 478 L C 0.930 177.809 176.870 0.015 0.000 1.073 478 L CA 1.238 56.058 54.840 -0.032 0.000 0.745 478 L CB -0.306 41.733 42.059 -0.033 0.000 0.894 478 L HN 0.243 nan 8.230 nan 0.000 0.432 479 M N -0.776 118.849 119.600 0.041 0.000 2.602 479 M HA 0.295 4.764 4.480 -0.019 0.000 0.312 479 M C -0.206 176.129 176.300 0.058 0.000 1.181 479 M CA -0.415 54.929 55.300 0.073 0.000 0.910 479 M CB 2.243 34.939 32.600 0.160 0.000 1.723 479 M HN -0.099 nan 8.290 nan 0.000 0.459 480 K N 2.013 122.445 120.400 0.055 0.000 2.235 480 K HA 0.327 4.636 4.320 -0.019 0.000 0.266 480 K C -0.758 175.876 176.600 0.056 0.000 0.980 480 K CA -0.451 55.865 56.287 0.048 0.000 0.849 480 K CB 1.470 33.995 32.500 0.041 0.000 1.098 480 K HN 0.663 nan 8.250 nan 0.000 0.445 481 K N 5.299 125.732 120.400 0.054 0.000 2.250 481 K HA 0.080 4.389 4.320 -0.019 0.000 0.280 481 K C 0.126 176.754 176.600 0.046 0.000 1.098 481 K CA -0.243 56.073 56.287 0.048 0.000 0.916 481 K CB 0.772 33.303 32.500 0.052 0.000 1.209 481 K HN 0.605 nan 8.250 nan 0.000 0.461 482 E N 3.342 123.570 120.200 0.047 0.000 1.994 482 E HA -0.076 4.263 4.350 -0.019 0.000 0.197 482 E C 0.545 177.211 176.600 0.109 0.000 0.982 482 E CA 1.139 57.582 56.400 0.072 0.000 0.855 482 E CB -0.192 29.556 29.700 0.081 0.000 0.806 482 E HN 0.570 nan 8.360 nan 0.000 0.495 483 F N 0.295 120.260 119.950 0.024 0.000 2.525 483 F HA 0.637 5.153 4.527 -0.019 0.000 0.346 483 F C -0.020 175.808 175.800 0.046 0.000 1.072 483 F CA -0.826 57.181 58.000 0.011 0.000 1.033 483 F CB 1.092 40.062 39.000 -0.049 0.000 1.324 483 F HN -0.019 nan 8.300 nan 0.000 0.491 484 T N -0.231 114.478 114.554 0.259 0.000 2.889 484 T HA 0.579 4.918 4.350 -0.019 0.000 0.315 484 T C -1.670 173.115 174.700 0.141 0.000 1.291 484 T CA -0.930 61.236 62.100 0.110 0.000 1.028 484 T CB 1.331 70.248 68.868 0.083 0.000 1.235 484 T HN 0.845 nan 8.240 nan 0.000 0.491 485 L N 3.087 124.316 121.223 0.009 0.000 2.295 485 L HA 0.485 4.814 4.340 -0.019 0.000 0.281 485 L C 0.016 176.949 176.870 0.105 0.000 1.018 485 L CA -1.075 53.661 54.840 -0.174 0.000 0.841 485 L CB 0.990 42.740 42.059 -0.514 0.000 1.218 485 L HN 0.738 nan 8.230 nan 0.000 0.424 486 E N 1.838 122.210 120.200 0.286 0.000 2.459 486 E HA -0.003 4.336 4.350 -0.019 0.000 0.264 486 E C -0.355 176.446 176.600 0.334 0.000 1.055 486 E CA -0.108 56.483 56.400 0.318 0.000 0.957 486 E CB 0.366 30.274 29.700 0.347 0.000 0.952 486 E HN 0.288 nan 8.360 nan 0.000 0.448 487 F N 1.764 121.813 119.950 0.164 0.000 2.545 487 F HA 0.152 4.668 4.527 -0.019 0.000 0.348 487 F C 0.142 176.029 175.800 0.145 0.000 1.163 487 F CA 0.399 58.482 58.000 0.139 0.000 1.331 487 F CB 0.497 39.558 39.000 0.101 0.000 1.138 487 F HN 0.403 nan 8.300 nan 0.000 0.602 488 S N 5.598 121.087 115.700 -0.351 0.000 2.603 488 S HA 0.400 4.858 4.470 -0.019 0.000 0.274 488 S C 0.392 174.835 174.600 -0.263 0.000 1.168 488 S CA -1.137 57.015 58.200 -0.081 0.000 0.963 488 S CB 1.925 65.113 63.200 -0.020 0.000 1.078 488 S HN 0.709 nan 8.310 nan 0.000 0.477 489 R N 1.881 122.434 120.500 0.089 0.000 2.204 489 R HA -0.215 4.114 4.340 -0.019 0.000 0.253 489 R C 1.634 177.926 176.300 -0.013 0.000 1.172 489 R CA 2.330 58.510 56.100 0.133 0.000 0.994 489 R CB -0.967 29.425 30.300 0.153 0.000 0.874 489 R HN 0.975 nan 8.270 nan 0.000 0.462 490 D N 0.560 120.928 120.400 -0.054 0.000 2.077 490 D HA -0.211 4.418 4.640 -0.019 0.000 0.193 490 D C 1.854 178.102 176.300 -0.086 0.000 0.989 490 D CA 1.676 55.644 54.000 -0.054 0.000 0.831 490 D CB -0.261 40.509 40.800 -0.050 0.000 0.979 490 D HN 0.366 nan 8.370 nan 0.000 0.449 491 R N -0.779 119.633 120.500 -0.147 0.000 2.280 491 R HA 0.192 4.521 4.340 -0.019 0.000 0.195 491 R C 0.346 176.526 176.300 -0.200 0.000 0.935 491 R CA 0.063 56.081 56.100 -0.137 0.000 1.033 491 R CB -0.055 30.183 30.300 -0.104 0.000 0.964 491 R HN -0.070 nan 8.270 nan 0.000 0.489 492 K N 1.043 121.201 120.400 -0.403 0.000 3.125 492 K HA -0.172 4.136 4.320 -0.019 0.000 0.268 492 K C -1.266 175.125 176.600 -0.350 0.000 1.078 492 K CA 0.947 56.966 56.287 -0.447 0.000 0.775 492 K CB -1.439 31.043 32.500 -0.031 0.000 1.253 492 K HN 0.730 nan 8.250 nan 0.000 0.486 493 S N -1.707 113.673 115.700 -0.533 0.000 2.672 493 S HA 0.852 5.311 4.470 -0.019 0.000 0.271 493 S C -0.697 173.893 174.600 -0.017 0.000 1.171 493 S CA -0.770 57.374 58.200 -0.092 0.000 0.817 493 S CB 1.973 65.163 63.200 -0.015 0.000 1.150 493 S HN 0.516 nan 8.310 nan 0.000 0.478 494 M N -0.409 119.269 119.600 0.130 0.000 2.603 494 M HA 0.853 5.322 4.480 -0.019 0.000 0.275 494 M C -1.510 174.855 176.300 0.108 0.000 1.226 494 M CA -0.481 54.909 55.300 0.150 0.000 0.870 494 M CB 2.040 34.789 32.600 0.249 0.000 1.716 494 M HN 1.147 nan 8.290 nan 0.000 0.482 495 S N 0.567 116.313 115.700 0.075 0.000 2.550 495 S HA 0.864 5.323 4.470 -0.019 0.000 0.270 495 S C -0.980 173.625 174.600 0.007 0.000 1.145 495 S CA -0.341 57.887 58.200 0.046 0.000 0.852 495 S CB 1.618 64.831 63.200 0.022 0.000 1.119 495 S HN 1.844 nan 8.310 nan 0.000 0.465 496 V N -0.111 119.799 119.914 -0.008 0.000 2.680 496 V HA 0.738 4.847 4.120 -0.019 0.000 0.309 496 V C -1.111 174.857 176.094 -0.209 0.000 1.052 496 V CA -0.962 61.299 62.300 -0.065 0.000 0.908 496 V CB 1.213 33.057 31.823 0.035 0.000 1.001 496 V HN 0.979 nan 8.190 nan 0.000 0.431 497 Y N 3.039 123.009 120.300 -0.550 0.000 2.316 497 Y HA 0.672 5.211 4.550 -0.019 0.000 0.331 497 Y C 0.078 175.746 175.900 -0.387 0.000 1.083 497 Y CA -0.045 57.662 58.100 -0.656 0.000 1.206 497 Y CB 1.018 38.692 38.460 -1.310 0.000 1.195 497 Y HN 0.989 nan 8.280 nan 0.000 0.497 498 C N 3.963 123.008 119.300 -0.425 0.000 2.626 498 C HA 0.739 5.188 4.460 -0.019 0.000 0.310 498 C C -0.758 174.136 174.990 -0.159 0.000 1.191 498 C CA -0.868 58.047 59.018 -0.172 0.000 1.517 498 C CB 0.941 28.650 27.740 -0.051 0.000 2.102 498 C HN 0.899 nan 8.230 nan 0.000 0.479 499 S N 2.094 117.790 115.700 -0.008 0.000 2.568 499 S HA 0.809 5.268 4.470 -0.019 0.000 0.293 499 S C -3.240 171.372 174.600 0.020 0.000 1.089 499 S CA -1.280 56.926 58.200 0.010 0.000 0.945 499 S CB 1.640 64.880 63.200 0.068 0.000 1.077 499 S HN 0.471 nan 8.310 nan 0.000 0.485 500 P HA 0.464 nan 4.420 nan 0.000 0.273 500 P C 0.074 177.382 177.300 0.014 0.000 1.250 500 P CA -0.267 62.842 63.100 0.015 0.000 0.793 500 P CB 0.656 32.360 31.700 0.007 0.000 1.011 501 A N 0.197 123.021 122.820 0.006 0.000 1.962 501 A HA 0.346 4.655 4.320 -0.019 0.000 0.202 501 A C 0.781 178.362 177.584 -0.005 0.000 2.303 501 A CA 0.819 52.857 52.037 0.002 0.000 1.341 501 A CB -0.592 18.408 19.000 -0.001 0.000 1.044 501 A HN 0.430 nan 8.150 nan 0.000 0.583 502 K N 0.107 120.499 120.400 -0.014 0.000 2.632 502 K HA 0.471 4.780 4.320 -0.019 0.000 0.267 502 K C 0.361 176.950 176.600 -0.019 0.000 1.028 502 K CA -0.003 56.274 56.287 -0.018 0.000 1.045 502 K CB 0.789 33.274 32.500 -0.026 0.000 1.400 502 K HN 0.210 nan 8.250 nan 0.000 0.522 503 S N 0.928 116.615 115.700 -0.022 0.000 3.106 503 S HA 0.036 4.495 4.470 -0.019 0.000 0.304 503 S C -0.038 174.547 174.600 -0.025 0.000 1.118 503 S CA 0.178 58.365 58.200 -0.020 0.000 1.403 503 S CB -1.495 61.693 63.200 -0.020 0.000 1.555 503 S HN 0.539 nan 8.310 nan 0.000 0.584 504 S N 3.948 119.637 115.700 -0.019 0.000 3.617 504 S HA 0.592 5.051 4.470 -0.019 0.000 0.220 504 S C 0.185 174.781 174.600 -0.007 0.000 1.040 504 S CA -0.915 57.274 58.200 -0.018 0.000 1.454 504 S CB 0.618 63.810 63.200 -0.012 0.000 1.045 504 S HN 0.572 nan 8.310 nan 0.000 0.658 505 R N 0.384 120.885 120.500 0.002 0.000 2.672 505 R HA 0.544 4.873 4.340 -0.019 0.000 0.228 505 R C -1.453 174.853 176.300 0.010 0.000 1.501 505 R CA 0.000 56.104 56.100 0.006 0.000 1.514 505 R CB 0.668 30.973 30.300 0.010 0.000 1.489 505 R HN 0.824 nan 8.270 nan 0.000 0.747 506 A N 0.583 123.406 122.820 0.006 0.000 2.475 506 A HA 0.983 5.292 4.320 -0.019 0.000 0.301 506 A C -1.274 176.307 177.584 -0.005 0.000 1.059 506 A CA -0.071 51.967 52.037 0.002 0.000 0.710 506 A CB 1.975 20.980 19.000 0.007 0.000 1.288 506 A HN 0.554 nan 8.150 nan 0.000 0.408 507 A N -0.449 122.364 122.820 -0.012 0.000 2.415 507 A HA 0.637 4.945 4.320 -0.019 0.000 0.294 507 A C 0.533 178.106 177.584 -0.017 0.000 1.019 507 A CA 0.306 52.336 52.037 -0.012 0.000 0.603 507 A CB -0.642 18.353 19.000 -0.007 0.000 1.382 507 A HN 2.085 nan 8.150 nan 0.000 0.483 508 V N -1.622 118.285 119.914 -0.012 0.000 1.531 508 V HA -0.242 3.867 4.120 -0.019 0.000 0.035 508 V C 1.061 177.144 176.094 -0.018 0.000 1.135 508 V CA 2.774 65.067 62.300 -0.012 0.000 1.980 508 V CB -1.372 30.442 31.823 -0.014 0.000 1.692 508 V HN 2.537 nan 8.190 nan 0.000 0.821 509 G N -1.081 107.701 108.800 -0.030 0.000 2.742 509 G HA2 0.620 4.569 3.960 -0.019 0.000 0.296 509 G HA3 0.620 4.569 3.960 -0.019 0.000 0.296 509 G C -0.912 173.939 174.900 -0.081 0.000 1.436 509 G CA -0.158 44.912 45.100 -0.050 0.000 0.928 509 G HN 0.076 nan 8.290 nan 0.000 0.520 510 N N -0.031 118.597 118.700 -0.121 0.000 2.531 510 N HA 0.542 5.271 4.740 -0.019 0.000 0.301 510 N C -0.505 174.778 175.510 -0.379 0.000 1.310 510 N CA -0.223 52.690 53.050 -0.229 0.000 0.949 510 N CB 0.693 39.038 38.487 -0.237 0.000 1.111 510 N HN 0.258 nan 8.380 nan 0.000 0.565 511 K N 0.605 120.621 120.400 -0.640 0.000 2.525 511 K HA 0.387 4.695 4.320 -0.019 0.000 0.254 511 K C -0.967 175.006 176.600 -1.045 0.000 0.934 511 K CA -0.235 55.590 56.287 -0.769 0.000 0.802 511 K CB 2.139 34.122 32.500 -0.862 0.000 1.295 511 K HN 0.474 nan 8.250 nan 0.000 0.433 512 M N 2.552 121.684 119.600 -0.780 0.000 2.180 512 M HA 0.414 4.883 4.480 -0.019 0.000 0.350 512 M C -0.817 175.187 176.300 -0.493 0.000 1.125 512 M CA -0.641 54.296 55.300 -0.605 0.000 1.031 512 M CB 0.574 32.991 32.600 -0.305 0.000 1.623 512 M HN 0.300 nan 8.290 nan 0.000 0.451 513 F N 3.129 123.001 119.950 -0.130 0.000 2.308 513 F HA 0.404 4.920 4.527 -0.019 0.000 0.370 513 F C -0.110 175.660 175.800 -0.049 0.000 1.100 513 F CA -0.936 57.014 58.000 -0.083 0.000 1.108 513 F CB 0.439 39.391 39.000 -0.080 0.000 1.293 513 F HN 0.151 nan 8.300 nan 0.000 0.478 514 V N 3.469 123.464 119.914 0.134 0.000 2.607 514 V HA 0.442 4.551 4.120 -0.019 0.000 0.289 514 V C -0.055 176.091 176.094 0.086 0.000 1.053 514 V CA -0.983 61.372 62.300 0.092 0.000 0.996 514 V CB 1.648 33.513 31.823 0.071 0.000 0.995 514 V HN 0.646 nan 8.190 nan 0.000 0.476 515 K N 2.605 123.059 120.400 0.091 0.000 2.695 515 K HA 0.619 4.928 4.320 -0.019 0.000 0.255 515 K C -0.438 176.241 176.600 0.130 0.000 1.016 515 K CA -0.131 56.208 56.287 0.086 0.000 0.928 515 K CB 1.429 33.974 32.500 0.075 0.000 1.235 515 K HN 0.934 nan 8.250 nan 0.000 0.467 516 G N 1.613 110.491 108.800 0.129 0.000 2.947 516 G HA2 0.685 4.634 3.960 -0.019 0.000 0.293 516 G HA3 0.685 4.634 3.960 -0.019 0.000 0.293 516 G C -1.335 173.666 174.900 0.167 0.000 1.243 516 G CA -0.525 44.686 45.100 0.185 0.000 0.802 516 G HN 0.597 nan 8.290 nan 0.000 0.560 517 A N 0.077 123.005 122.820 0.181 0.000 2.371 517 A HA 0.657 4.965 4.320 -0.019 0.000 0.257 517 A C -1.204 176.447 177.584 0.112 0.000 1.089 517 A CA -0.804 51.322 52.037 0.148 0.000 0.794 517 A CB 0.734 19.830 19.000 0.160 0.000 1.029 517 A HN 0.293 nan 8.150 nan 0.000 0.488 518 P HA -0.171 nan 4.420 nan 0.000 0.214 518 P C 1.409 178.754 177.300 0.075 0.000 1.163 518 P CA 1.101 64.260 63.100 0.097 0.000 0.883 518 P CB 0.190 31.943 31.700 0.088 0.000 0.788 519 E N -0.129 120.105 120.200 0.058 0.000 2.035 519 E HA -0.181 4.157 4.350 -0.019 0.000 0.204 519 E C 2.239 178.861 176.600 0.037 0.000 1.025 519 E CA 2.130 58.552 56.400 0.037 0.000 0.835 519 E CB -1.383 28.337 29.700 0.033 0.000 0.764 519 E HN 0.128 nan 8.360 nan 0.000 0.457 520 G N 0.888 109.713 108.800 0.042 0.000 2.586 520 G HA2 -0.298 3.651 3.960 -0.019 0.000 0.218 520 G HA3 -0.298 3.651 3.960 -0.019 0.000 0.218 520 G C 1.908 176.833 174.900 0.042 0.000 1.216 520 G CA 2.039 47.158 45.100 0.032 0.000 0.786 520 G HN 0.275 nan 8.290 nan 0.000 0.583 521 V N 1.462 121.414 119.914 0.063 0.000 2.252 521 V HA -0.249 3.860 4.120 -0.019 0.000 0.249 521 V C 2.856 179.006 176.094 0.094 0.000 1.056 521 V CA 2.061 64.411 62.300 0.083 0.000 1.022 521 V CB -0.555 31.333 31.823 0.109 0.000 0.641 521 V HN 0.451 nan 8.190 nan 0.000 0.445 522 I N -0.181 120.447 120.570 0.097 0.000 2.226 522 I HA -0.236 3.922 4.170 -0.019 0.000 0.245 522 I C 2.233 178.365 176.117 0.025 0.000 1.100 522 I CA 1.676 63.019 61.300 0.071 0.000 1.374 522 I CB -0.604 37.401 38.000 0.007 0.000 1.057 522 I HN 0.306 nan 8.210 nan 0.000 0.413 523 D N 1.022 121.431 120.400 0.014 0.000 2.351 523 D HA -0.114 4.515 4.640 -0.019 0.000 0.216 523 D C 1.719 178.022 176.300 0.005 0.000 0.968 523 D CA 0.872 54.872 54.000 -0.000 0.000 0.899 523 D CB 0.039 40.838 40.800 -0.001 0.000 0.907 523 D HN 0.392 nan 8.370 nan 0.000 0.514 524 R N -0.659 119.856 120.500 0.025 0.000 2.468 524 R HA 0.180 4.508 4.340 -0.019 0.000 0.280 524 R C -0.067 176.259 176.300 0.042 0.000 0.963 524 R CA -0.137 55.980 56.100 0.029 0.000 1.083 524 R CB 0.553 30.875 30.300 0.037 0.000 1.200 524 R HN 0.045 nan 8.270 nan 0.000 0.541 525 C N 1.076 120.402 119.300 0.043 0.000 2.303 525 C HA 0.367 4.816 4.460 -0.019 0.000 0.326 525 C C 1.192 176.163 174.990 -0.032 0.000 1.285 525 C CA -0.983 58.070 59.018 0.059 0.000 1.675 525 C CB 0.808 28.630 27.740 0.136 0.000 2.289 525 C HN 0.446 nan 8.230 nan 0.000 0.512 526 N N 0.404 119.028 118.700 -0.128 0.000 2.254 526 N HA 0.094 4.823 4.740 -0.019 0.000 0.190 526 N C -0.788 174.365 175.510 -0.596 0.000 1.107 526 N CA 0.537 53.349 53.050 -0.396 0.000 0.869 526 N CB 0.511 38.648 38.487 -0.582 0.000 0.983 526 N HN 0.697 nan 8.380 nan 0.000 0.487 527 Y N -0.454 119.884 120.300 0.063 0.000 2.545 527 Y HA 0.503 5.042 4.550 -0.019 0.000 0.348 527 Y C -0.057 175.910 175.900 0.112 0.000 1.002 527 Y CA -0.883 57.259 58.100 0.071 0.000 1.039 527 Y CB 1.719 40.214 38.460 0.059 0.000 1.271 527 Y HN -0.402 nan 8.280 nan 0.000 0.467 528 V N 2.700 122.782 119.914 0.280 0.000 2.555 528 V HA 0.497 4.606 4.120 -0.019 0.000 0.302 528 V C -0.599 175.627 176.094 0.220 0.000 1.038 528 V CA -1.050 61.409 62.300 0.266 0.000 0.887 528 V CB 1.899 33.846 31.823 0.208 0.000 0.991 528 V HN 0.698 nan 8.190 nan 0.000 0.434 529 R N 3.793 124.413 120.500 0.200 0.000 2.207 529 R HA 0.570 4.899 4.340 -0.019 0.000 0.334 529 R C -1.314 175.065 176.300 0.131 0.000 1.013 529 R CA -0.303 55.873 56.100 0.127 0.000 0.858 529 R CB 1.103 31.447 30.300 0.074 0.000 1.094 529 R HN 0.529 nan 8.270 nan 0.000 0.457 530 V N 6.080 126.062 119.914 0.113 0.000 2.259 530 V HA 0.481 4.590 4.120 -0.019 0.000 0.267 530 V C 1.074 177.221 176.094 0.088 0.000 1.051 530 V CA 0.265 62.631 62.300 0.110 0.000 0.830 530 V CB 0.021 31.903 31.823 0.098 0.000 1.080 530 V HN 1.150 nan 8.190 nan 0.000 0.467 531 G N 5.049 113.905 108.800 0.094 0.000 2.527 531 G HA2 -0.295 3.654 3.960 -0.019 0.000 0.262 531 G HA3 -0.295 3.654 3.960 -0.019 0.000 0.262 531 G C 0.798 175.732 174.900 0.057 0.000 1.153 531 G CA 0.616 45.764 45.100 0.081 0.000 0.954 531 G HN 1.239 nan 8.290 nan 0.000 0.552 532 T N -0.944 113.635 114.554 0.043 0.000 3.054 532 T HA 0.496 4.835 4.350 -0.019 0.000 0.255 532 T C 1.308 176.023 174.700 0.027 0.000 1.035 532 T CA 1.583 63.701 62.100 0.031 0.000 0.941 532 T CB -0.111 68.771 68.868 0.024 0.000 1.026 532 T HN 1.727 nan 8.240 nan 0.000 0.533 533 T N -0.035 114.539 114.554 0.033 0.000 2.833 533 T HA 0.568 4.907 4.350 -0.019 0.000 0.292 533 T C -0.148 174.573 174.700 0.036 0.000 1.031 533 T CA -0.935 61.181 62.100 0.028 0.000 0.937 533 T CB 1.464 70.352 68.868 0.032 0.000 1.256 533 T HN 0.500 nan 8.240 nan 0.000 0.551 534 R N -0.547 119.973 120.500 0.035 0.000 2.643 534 R HA 0.593 4.922 4.340 -0.019 0.000 0.269 534 R C -1.958 174.390 176.300 0.080 0.000 1.037 534 R CA -0.785 55.347 56.100 0.053 0.000 0.894 534 R CB 2.083 32.377 30.300 -0.009 0.000 1.238 534 R HN 0.887 nan 8.270 nan 0.000 0.459 535 V N -0.109 119.889 119.914 0.141 0.000 2.971 535 V HA 0.684 4.792 4.120 -0.019 0.000 0.309 535 V C -2.814 173.416 176.094 0.227 0.000 1.130 535 V CA -2.284 60.109 62.300 0.155 0.000 0.964 535 V CB 1.991 33.880 31.823 0.110 0.000 1.029 535 V HN 0.710 nan 8.190 nan 0.000 0.427 536 P HA 0.165 nan 4.420 nan 0.000 0.265 536 P C -0.335 176.990 177.300 0.041 0.000 1.193 536 P CA -0.049 63.125 63.100 0.123 0.000 0.765 536 P CB 0.584 32.325 31.700 0.070 0.000 0.823 537 M N 3.893 123.477 119.600 -0.028 0.000 2.252 537 M HA 0.136 4.605 4.480 -0.019 0.000 0.348 537 M C -0.522 175.752 176.300 -0.043 0.000 1.334 537 M CA 1.317 56.600 55.300 -0.030 0.000 1.071 537 M CB -0.293 32.273 32.600 -0.057 0.000 1.763 537 M HN 0.333 nan 8.290 nan 0.000 0.452 538 T N 3.081 117.616 114.554 -0.032 0.000 2.930 538 T HA 0.610 4.949 4.350 -0.019 0.000 0.290 538 T C 1.095 175.768 174.700 -0.045 0.000 1.052 538 T CA -0.547 61.533 62.100 -0.033 0.000 1.017 538 T CB 1.379 70.238 68.868 -0.015 0.000 1.137 538 T HN 0.754 nan 8.240 nan 0.000 0.511 539 G N 1.888 110.662 108.800 -0.043 0.000 2.586 539 G HA2 -0.159 3.789 3.960 -0.019 0.000 0.218 539 G HA3 -0.159 3.789 3.960 -0.019 0.000 0.218 539 G C -0.573 174.294 174.900 -0.055 0.000 1.216 539 G CA 0.998 46.069 45.100 -0.049 0.000 0.786 539 G HN 0.642 nan 8.290 nan 0.000 0.583 540 P HA -0.085 nan 4.420 nan 0.000 0.217 540 P C 1.986 179.253 177.300 -0.056 0.000 1.148 540 P CA 1.341 64.411 63.100 -0.050 0.000 0.828 540 P CB -0.185 31.494 31.700 -0.036 0.000 0.783 541 V N 0.668 120.551 119.914 -0.052 0.000 2.302 541 V HA -0.166 3.943 4.120 -0.019 0.000 0.243 541 V C 2.800 178.822 176.094 -0.120 0.000 1.036 541 V CA 1.931 64.192 62.300 -0.065 0.000 1.020 541 V CB -1.221 30.576 31.823 -0.042 0.000 0.657 541 V HN 0.064 nan 8.190 nan 0.000 0.453 542 K N 0.014 120.340 120.400 -0.123 0.000 2.074 542 K HA -0.224 4.085 4.320 -0.019 0.000 0.209 542 K C 2.155 178.672 176.600 -0.137 0.000 1.048 542 K CA 1.666 57.862 56.287 -0.152 0.000 0.926 542 K CB -0.079 32.354 32.500 -0.113 0.000 0.713 542 K HN 0.430 nan 8.250 nan 0.000 0.444 543 E N 0.828 120.964 120.200 -0.107 0.000 2.106 543 E HA -0.169 4.170 4.350 -0.019 0.000 0.192 543 E C 1.828 178.356 176.600 -0.120 0.000 0.984 543 E CA 0.835 57.175 56.400 -0.099 0.000 0.806 543 E CB -0.114 29.539 29.700 -0.080 0.000 0.750 543 E HN 0.240 nan 8.360 nan 0.000 0.458 544 K N 0.873 121.194 120.400 -0.131 0.000 1.987 544 K HA -0.117 4.191 4.320 -0.019 0.000 0.216 544 K C 2.361 178.827 176.600 -0.223 0.000 1.051 544 K CA 1.098 57.285 56.287 -0.168 0.000 0.942 544 K CB -0.641 31.767 32.500 -0.154 0.000 0.722 544 K HN 0.140 nan 8.250 nan 0.000 0.444 545 I N 1.413 121.854 120.570 -0.215 0.000 2.185 545 I HA -0.351 3.808 4.170 -0.019 0.000 0.246 545 I C 2.365 178.402 176.117 -0.133 0.000 1.088 545 I CA 1.319 62.513 61.300 -0.178 0.000 1.347 545 I CB -0.304 37.493 38.000 -0.339 0.000 1.041 545 I HN 0.157 nan 8.210 nan 0.000 0.415 546 L N -0.200 120.938 121.223 -0.140 0.000 2.044 546 L HA -0.162 4.167 4.340 -0.019 0.000 0.205 546 L C 2.806 179.605 176.870 -0.119 0.000 1.075 546 L CA 1.428 56.207 54.840 -0.102 0.000 0.747 546 L CB -0.684 41.325 42.059 -0.084 0.000 0.903 546 L HN 0.319 nan 8.230 nan 0.000 0.435 547 S N -0.008 115.607 115.700 -0.140 0.000 2.392 547 S HA -0.176 4.282 4.470 -0.019 0.000 0.232 547 S C 1.825 176.317 174.600 -0.180 0.000 1.041 547 S CA 1.861 59.979 58.200 -0.138 0.000 1.026 547 S CB -0.319 62.797 63.200 -0.140 0.000 0.845 547 S HN 0.211 nan 8.310 nan 0.000 0.465 548 V N 1.412 121.146 119.914 -0.300 0.000 2.500 548 V HA 0.076 4.185 4.120 -0.019 0.000 0.243 548 V C 2.405 178.194 176.094 -0.507 0.000 1.039 548 V CA 1.341 63.353 62.300 -0.480 0.000 1.053 548 V CB -0.640 30.687 31.823 -0.827 0.000 0.695 548 V HN 0.487 nan 8.190 nan 0.000 0.463 549 I N 0.487 120.864 120.570 -0.322 0.000 2.208 549 I HA -0.310 3.849 4.170 -0.019 0.000 0.245 549 I C 2.571 178.675 176.117 -0.022 0.000 1.097 549 I CA 1.974 63.193 61.300 -0.134 0.000 1.363 549 I CB -0.372 37.618 38.000 -0.018 0.000 1.051 549 I HN 0.296 nan 8.210 nan 0.000 0.413 550 K N 1.098 121.473 120.400 -0.042 0.000 2.097 550 K HA -0.239 4.070 4.320 -0.019 0.000 0.205 550 K C 2.125 178.749 176.600 0.040 0.000 1.050 550 K CA 1.520 57.809 56.287 0.003 0.000 0.938 550 K CB -0.052 32.438 32.500 -0.018 0.000 0.718 550 K HN 0.318 nan 8.250 nan 0.000 0.442 551 E N -0.345 119.869 120.200 0.025 0.000 2.031 551 E HA -0.212 4.127 4.350 -0.019 0.000 0.193 551 E C 1.583 178.340 176.600 0.260 0.000 0.994 551 E CA 1.377 57.841 56.400 0.106 0.000 0.800 551 E CB -0.178 29.575 29.700 0.088 0.000 0.752 551 E HN 0.381 nan 8.360 nan 0.000 0.447 552 W N 0.469 121.784 121.300 0.024 0.000 2.342 552 W HA 0.015 4.664 4.660 -0.019 0.000 0.297 552 W C 2.427 178.964 176.519 0.030 0.000 1.213 552 W CA 1.358 58.724 57.345 0.035 0.000 1.251 552 W CB -1.173 28.329 29.460 0.070 0.000 1.136 552 W HN 0.287 nan 8.180 nan 0.000 0.526 553 G N -2.159 106.806 108.800 0.276 0.000 2.408 553 G HA2 -0.140 3.809 3.960 -0.019 0.000 0.215 553 G HA3 -0.140 3.809 3.960 -0.019 0.000 0.215 553 G C 1.342 176.306 174.900 0.106 0.000 1.156 553 G CA 1.377 46.576 45.100 0.166 0.000 0.793 553 G HN 0.231 nan 8.290 nan 0.000 0.535 554 T N 0.282 114.892 114.554 0.094 0.000 3.134 554 T HA 0.454 4.793 4.350 -0.019 0.000 0.260 554 T C 1.319 176.052 174.700 0.055 0.000 1.027 554 T CA 0.474 62.609 62.100 0.058 0.000 0.913 554 T CB -0.284 68.606 68.868 0.037 0.000 1.046 554 T HN 0.304 nan 8.240 nan 0.000 0.553 555 G N 1.051 109.897 108.800 0.077 0.000 2.489 555 G HA2 0.260 4.209 3.960 -0.019 0.000 0.271 555 G HA3 0.260 4.209 3.960 -0.019 0.000 0.271 555 G C 0.796 175.717 174.900 0.034 0.000 1.427 555 G CA -0.653 44.484 45.100 0.061 0.000 1.057 555 G HN 0.510 nan 8.290 nan 0.000 0.532 556 R N -0.660 119.851 120.500 0.017 0.000 2.310 556 R HA 0.144 4.473 4.340 -0.019 0.000 0.202 556 R C 0.344 176.637 176.300 -0.013 0.000 0.933 556 R CA 0.448 56.549 56.100 0.002 0.000 1.054 556 R CB 0.209 30.506 30.300 -0.005 0.000 0.985 556 R HN 0.310 nan 8.270 nan 0.000 0.489 557 D N 1.900 122.292 120.400 -0.014 0.000 2.183 557 D HA -0.095 4.534 4.640 -0.019 0.000 0.205 557 D C 0.433 176.721 176.300 -0.020 0.000 0.962 557 D CA 1.991 55.966 54.000 -0.042 0.000 0.849 557 D CB -0.137 40.613 40.800 -0.083 0.000 0.978 557 D HN 0.371 nan 8.370 nan 0.000 0.488 558 T N -0.533 114.030 114.554 0.015 0.000 3.580 558 T HA -0.223 4.116 4.350 -0.019 0.000 0.402 558 T C 0.038 174.755 174.700 0.029 0.000 0.765 558 T CA 0.130 62.246 62.100 0.027 0.000 2.064 558 T CB -2.531 66.342 68.868 0.009 0.000 1.724 558 T HN 0.164 nan 8.240 nan 0.000 0.719 559 L N 0.667 121.927 121.223 0.063 0.000 2.343 559 L HA 0.602 4.931 4.340 -0.019 0.000 0.275 559 L C 1.031 177.967 176.870 0.110 0.000 1.056 559 L CA -1.186 53.697 54.840 0.072 0.000 0.804 559 L CB 1.563 43.671 42.059 0.081 0.000 1.203 559 L HN 0.432 nan 8.230 nan 0.000 0.440 560 R N 1.695 122.249 120.500 0.090 0.000 2.255 560 R HA 0.441 4.770 4.340 -0.019 0.000 0.326 560 R C -1.333 175.044 176.300 0.127 0.000 0.986 560 R CA -0.438 55.720 56.100 0.096 0.000 0.847 560 R CB 0.952 31.290 30.300 0.062 0.000 1.111 560 R HN 0.672 nan 8.270 nan 0.000 0.452 561 C N 5.095 124.486 119.300 0.152 0.000 2.366 561 C HA 0.568 5.016 4.460 -0.019 0.000 0.345 561 C C -0.648 174.416 174.990 0.123 0.000 1.209 561 C CA -0.845 58.277 59.018 0.173 0.000 2.050 561 C CB 0.778 28.641 27.740 0.205 0.000 2.359 561 C HN 0.646 nan 8.230 nan 0.000 0.527 562 L N 2.489 123.773 121.223 0.102 0.000 2.365 562 L HA 0.679 5.008 4.340 -0.019 0.000 0.273 562 L C 0.479 177.379 176.870 0.050 0.000 1.000 562 L CA -0.036 54.851 54.840 0.079 0.000 0.819 562 L CB 1.287 43.384 42.059 0.063 0.000 1.284 562 L HN 0.852 nan 8.230 nan 0.000 0.418 563 A N 4.357 127.220 122.820 0.071 0.000 2.316 563 A HA 0.796 5.104 4.320 -0.019 0.000 0.284 563 A C -0.716 176.865 177.584 -0.004 0.000 1.115 563 A CA -0.302 51.775 52.037 0.068 0.000 0.812 563 A CB 0.286 19.380 19.000 0.158 0.000 1.064 563 A HN 0.656 nan 8.150 nan 0.000 0.489 564 L N 1.730 122.877 121.223 -0.128 0.000 2.372 564 L HA 0.677 5.006 4.340 -0.019 0.000 0.274 564 L C 0.159 176.922 176.870 -0.179 0.000 0.988 564 L CA -0.299 54.459 54.840 -0.137 0.000 0.833 564 L CB 1.563 43.511 42.059 -0.185 0.000 1.236 564 L HN 0.839 nan 8.230 nan 0.000 0.410 565 A N 1.818 124.613 122.820 -0.041 0.000 2.479 565 A HA 0.936 5.245 4.320 -0.019 0.000 0.296 565 A C -0.451 177.175 177.584 0.071 0.000 1.121 565 A CA -0.518 51.520 52.037 0.003 0.000 0.743 565 A CB 2.235 21.280 19.000 0.075 0.000 1.323 565 A HN 0.588 nan 8.150 nan 0.000 0.415 566 T N -1.053 113.552 114.554 0.085 0.000 2.900 566 T HA 0.604 4.943 4.350 -0.019 0.000 0.295 566 T C -0.623 174.094 174.700 0.029 0.000 1.044 566 T CA -0.684 61.471 62.100 0.091 0.000 0.995 566 T CB 1.420 70.389 68.868 0.169 0.000 1.072 566 T HN 0.654 nan 8.240 nan 0.000 0.473 567 R N 2.319 122.791 120.500 -0.047 0.000 2.235 567 R HA 0.171 4.500 4.340 -0.019 0.000 0.338 567 R C 0.149 176.385 176.300 -0.108 0.000 1.087 567 R CA -0.432 55.641 56.100 -0.045 0.000 0.948 567 R CB 0.255 30.523 30.300 -0.053 0.000 1.099 567 R HN 0.721 nan 8.270 nan 0.000 0.483 568 D N 1.329 121.692 120.400 -0.062 0.000 2.117 568 D HA -0.082 4.547 4.640 -0.019 0.000 0.197 568 D C -0.042 176.192 176.300 -0.110 0.000 0.987 568 D CA 1.604 55.549 54.000 -0.091 0.000 0.829 568 D CB 0.416 41.167 40.800 -0.083 0.000 0.961 568 D HN 0.413 nan 8.370 nan 0.000 0.460 569 T N 3.210 117.717 114.554 -0.079 0.000 3.053 569 T HA 0.370 4.709 4.350 -0.019 0.000 0.363 569 T C -2.460 172.214 174.700 -0.043 0.000 1.239 569 T CA -1.415 60.648 62.100 -0.063 0.000 1.071 569 T CB 2.046 70.889 68.868 -0.040 0.000 1.089 569 T HN -0.045 nan 8.240 nan 0.000 0.527 570 P HA 0.431 nan 4.420 nan 0.000 0.278 570 P C -2.450 174.873 177.300 0.038 0.000 1.258 570 P CA -1.886 61.190 63.100 -0.040 0.000 0.811 570 P CB -0.225 31.374 31.700 -0.169 0.000 1.063 571 P HA 0.112 nan 4.420 nan 0.000 0.269 571 P C -0.391 176.964 177.300 0.092 0.000 1.217 571 P CA -0.007 63.133 63.100 0.066 0.000 0.783 571 P CB 0.408 32.128 31.700 0.033 0.000 0.898 572 K N 1.390 121.818 120.400 0.048 0.000 2.414 572 K HA 0.033 4.342 4.320 -0.019 0.000 0.272 572 K C 1.680 178.282 176.600 0.002 0.000 0.993 572 K CA -0.136 56.176 56.287 0.041 0.000 0.964 572 K CB 0.175 32.682 32.500 0.011 0.000 0.925 572 K HN 0.218 nan 8.250 nan 0.000 0.487 573 R N 2.232 122.720 120.500 -0.019 0.000 2.139 573 R HA -0.147 4.182 4.340 -0.019 0.000 0.243 573 R C 0.234 176.447 176.300 -0.146 0.000 1.145 573 R CA 1.455 57.472 56.100 -0.139 0.000 0.976 573 R CB -0.111 30.098 30.300 -0.152 0.000 0.866 573 R HN 0.776 nan 8.270 nan 0.000 0.449 574 E N 0.456 120.600 120.200 -0.094 0.000 2.280 574 E HA 0.055 4.394 4.350 -0.019 0.000 0.279 574 E C -0.213 176.339 176.600 -0.081 0.000 1.325 574 E CA 0.033 56.378 56.400 -0.092 0.000 1.486 574 E CB 0.776 30.439 29.700 -0.062 0.000 1.466 574 E HN -0.056 nan 8.360 nan 0.000 0.473 575 E N 0.743 120.874 120.200 -0.116 0.000 2.629 575 E HA 0.223 4.561 4.350 -0.019 0.000 0.203 575 E C -0.454 176.047 176.600 -0.165 0.000 0.939 575 E CA 0.296 56.638 56.400 -0.097 0.000 1.439 575 E CB 0.395 30.059 29.700 -0.060 0.000 1.490 575 E HN 0.408 nan 8.360 nan 0.000 0.804 576 M N 1.175 120.594 119.600 -0.301 0.000 2.205 576 M HA 0.373 4.842 4.480 -0.019 0.000 0.344 576 M C -0.122 176.041 176.300 -0.227 0.000 1.085 576 M CA -0.839 54.145 55.300 -0.526 0.000 1.001 576 M CB 2.518 34.550 32.600 -0.946 0.000 1.626 576 M HN -0.359 nan 8.290 nan 0.000 0.442 577 V N 5.097 125.029 119.914 0.030 0.000 2.326 577 V HA 0.065 4.174 4.120 -0.019 0.000 0.249 577 V C 1.228 177.414 176.094 0.154 0.000 1.114 577 V CA -0.002 62.339 62.300 0.068 0.000 1.028 577 V CB -0.360 31.522 31.823 0.099 0.000 1.170 577 V HN 0.875 nan 8.190 nan 0.000 0.494 578 L N 1.747 122.981 121.223 0.018 0.000 2.633 578 L HA -0.006 4.323 4.340 -0.019 0.000 0.235 578 L C 1.596 178.597 176.870 0.218 0.000 1.163 578 L CA 0.889 55.785 54.840 0.093 0.000 0.859 578 L CB -0.118 41.803 42.059 -0.231 0.000 0.973 578 L HN 0.648 nan 8.230 nan 0.000 0.451 579 D N -0.548 119.911 120.400 0.097 0.000 2.431 579 D HA 0.020 4.649 4.640 -0.019 0.000 0.213 579 D C -0.330 175.861 176.300 -0.182 0.000 1.130 579 D CA 0.108 54.136 54.000 0.047 0.000 0.834 579 D CB 0.560 41.414 40.800 0.090 0.000 0.985 579 D HN 0.149 nan 8.370 nan 0.000 0.504 580 D N 0.149 120.424 120.400 -0.208 0.000 2.477 580 D HA 0.019 4.648 4.640 -0.019 0.000 0.239 580 D C 1.464 177.319 176.300 -0.741 0.000 1.102 580 D CA -0.071 53.735 54.000 -0.324 0.000 0.901 580 D CB 1.521 42.251 40.800 -0.118 0.000 1.026 580 D HN -0.093 nan 8.370 nan 0.000 0.515 581 S N 0.674 115.720 115.700 -1.089 0.000 2.442 581 S HA -0.195 4.264 4.470 -0.019 0.000 0.236 581 S C 1.913 175.960 174.600 -0.921 0.000 1.007 581 S CA 1.302 58.516 58.200 -1.644 0.000 0.965 581 S CB -0.069 62.528 63.200 -1.006 0.000 0.773 581 S HN 0.297 nan 8.310 nan 0.000 0.504 582 S N 1.467 116.859 115.700 -0.513 0.000 2.423 582 S HA 0.043 4.502 4.470 -0.019 0.000 0.231 582 S C 1.809 176.247 174.600 -0.270 0.000 1.014 582 S CA 0.367 58.390 58.200 -0.295 0.000 0.965 582 S CB -0.484 62.601 63.200 -0.191 0.000 0.785 582 S HN 0.628 nan 8.310 nan 0.000 0.495 583 R N -0.769 119.537 120.500 -0.323 0.000 2.334 583 R HA 0.298 4.627 4.340 -0.019 0.000 0.220 583 R C 0.740 176.642 176.300 -0.662 0.000 0.917 583 R CA -0.088 55.772 56.100 -0.401 0.000 1.073 583 R CB -0.135 30.002 30.300 -0.272 0.000 1.056 583 R HN 0.367 nan 8.270 nan 0.000 0.506 584 F N 0.514 120.173 119.950 -0.485 0.000 2.293 584 F HA -0.088 4.428 4.527 -0.019 0.000 0.300 584 F C 2.093 177.748 175.800 -0.242 0.000 1.086 584 F CA 0.856 58.670 58.000 -0.311 0.000 1.375 584 F CB -0.342 38.612 39.000 -0.077 0.000 1.045 584 F HN 0.035 nan 8.300 nan 0.000 0.516 585 M N -0.431 119.145 119.600 -0.041 0.000 2.254 585 M HA -0.154 4.315 4.480 -0.019 0.000 0.265 585 M C 2.272 178.538 176.300 -0.057 0.000 1.066 585 M CA 1.274 56.553 55.300 -0.036 0.000 1.123 585 M CB -0.198 32.373 32.600 -0.048 0.000 1.388 585 M HN 0.123 nan 8.290 nan 0.000 0.425 586 E N -0.078 120.026 120.200 -0.161 0.000 2.106 586 E HA -0.205 4.134 4.350 -0.019 0.000 0.192 586 E C 1.519 178.158 176.600 0.066 0.000 0.984 586 E CA 1.370 57.721 56.400 -0.083 0.000 0.806 586 E CB -0.163 29.461 29.700 -0.126 0.000 0.750 586 E HN 0.679 nan 8.360 nan 0.000 0.458 587 Y N 0.353 120.713 120.300 0.100 0.000 2.439 587 Y HA -0.003 4.536 4.550 -0.019 0.000 0.292 587 Y C 1.136 177.075 175.900 0.065 0.000 1.130 587 Y CA 0.201 58.357 58.100 0.092 0.000 1.254 587 Y CB 0.181 38.711 38.460 0.116 0.000 1.000 587 Y HN -0.031 nan 8.280 nan 0.000 0.554 588 E N 1.148 121.444 120.200 0.161 0.000 2.354 588 E HA 0.138 4.476 4.350 -0.019 0.000 0.252 588 E C -0.446 176.200 176.600 0.077 0.000 1.330 588 E CA -0.111 56.349 56.400 0.100 0.000 1.658 588 E CB 0.199 29.943 29.700 0.073 0.000 1.460 588 E HN 0.177 nan 8.360 nan 0.000 0.435 589 T N -0.381 114.227 114.554 0.089 0.000 2.916 589 T HA 0.142 4.481 4.350 -0.019 0.000 0.292 589 T C -0.080 174.671 174.700 0.085 0.000 1.064 589 T CA -0.769 61.375 62.100 0.073 0.000 1.011 589 T CB 1.329 70.236 68.868 0.065 0.000 1.152 589 T HN 0.141 nan 8.240 nan 0.000 0.510 590 D N 0.437 120.883 120.400 0.077 0.000 2.746 590 D HA -0.140 4.488 4.640 -0.019 0.000 0.236 590 D C -0.351 176.044 176.300 0.158 0.000 1.129 590 D CA 0.415 54.483 54.000 0.112 0.000 0.691 590 D CB -1.469 39.412 40.800 0.134 0.000 1.077 590 D HN 0.439 nan 8.370 nan 0.000 0.432 591 L N -0.759 120.539 121.223 0.125 0.000 2.468 591 L HA 0.486 4.815 4.340 -0.019 0.000 0.254 591 L C 1.038 178.024 176.870 0.193 0.000 1.171 591 L CA -0.291 54.630 54.840 0.134 0.000 0.809 591 L CB 0.984 43.107 42.059 0.106 0.000 1.155 591 L HN -0.019 nan 8.230 nan 0.000 0.473 592 T N 0.950 115.611 114.554 0.179 0.000 2.833 592 T HA 0.264 4.603 4.350 -0.019 0.000 0.297 592 T C -0.476 174.334 174.700 0.182 0.000 1.015 592 T CA -0.353 61.876 62.100 0.215 0.000 0.963 592 T CB 0.532 69.508 68.868 0.179 0.000 0.955 592 T HN 0.262 nan 8.240 nan 0.000 0.449 593 F N 4.281 124.278 119.950 0.078 0.000 2.612 593 F HA 0.134 4.650 4.527 -0.019 0.000 0.389 593 F C 0.904 176.730 175.800 0.044 0.000 1.055 593 F CA 0.385 58.414 58.000 0.049 0.000 1.232 593 F CB 0.495 39.522 39.000 0.045 0.000 1.044 593 F HN 0.347 nan 8.300 nan 0.000 0.560 594 V N 5.102 124.607 119.914 -0.682 0.000 3.048 594 V HA 0.450 4.559 4.120 -0.019 0.000 0.241 594 V C 1.052 176.678 176.094 -0.781 0.000 1.129 594 V CA 0.977 62.971 62.300 -0.510 0.000 1.128 594 V CB 0.056 31.709 31.823 -0.285 0.000 0.849 594 V HN 1.094 nan 8.190 nan 0.000 0.475 595 G N -1.046 106.962 108.800 -1.321 0.000 2.315 595 G HA2 0.440 4.388 3.960 -0.019 0.000 0.294 595 G HA3 0.440 4.388 3.960 -0.019 0.000 0.294 595 G C -2.133 172.300 174.900 -0.778 0.000 1.300 595 G CA -0.104 44.407 45.100 -0.982 0.000 0.843 595 G HN -0.003 nan 8.290 nan 0.000 0.527 596 V N 0.305 119.803 119.914 -0.693 0.000 2.668 596 V HA 0.677 4.786 4.120 -0.019 0.000 0.304 596 V C 0.044 176.029 176.094 -0.182 0.000 1.071 596 V CA -0.521 61.520 62.300 -0.433 0.000 0.894 596 V CB 1.506 32.979 31.823 -0.584 0.000 1.008 596 V HN 1.514 nan 8.190 nan 0.000 0.425 597 V N 1.636 121.545 119.914 -0.008 0.000 2.581 597 V HA 1.069 5.178 4.120 -0.019 0.000 0.303 597 V C 0.228 176.444 176.094 0.204 0.000 1.041 597 V CA -0.347 62.020 62.300 0.112 0.000 0.907 597 V CB 1.691 33.532 31.823 0.031 0.000 0.994 597 V HN 1.008 nan 8.190 nan 0.000 0.442 598 G N 5.473 114.432 108.800 0.264 0.000 2.609 598 G HA2 0.682 4.631 3.960 -0.019 0.000 0.308 598 G HA3 0.682 4.631 3.960 -0.019 0.000 0.308 598 G C -0.751 174.188 174.900 0.065 0.000 1.369 598 G CA -0.891 44.351 45.100 0.238 0.000 0.958 598 G HN 1.166 nan 8.290 nan 0.000 0.499 599 M N 1.603 121.233 119.600 0.050 0.000 2.761 599 M HA 0.880 5.348 4.480 -0.019 0.000 0.305 599 M C -1.666 174.626 176.300 -0.013 0.000 1.235 599 M CA -1.146 54.151 55.300 -0.004 0.000 0.850 599 M CB 2.369 34.968 32.600 -0.002 0.000 1.744 599 M HN 0.396 nan 8.290 nan 0.000 0.480 600 L N 1.073 122.271 121.223 -0.042 0.000 2.354 600 L HA 0.624 4.953 4.340 -0.019 0.000 0.269 600 L C -1.570 175.273 176.870 -0.045 0.000 1.005 600 L CA 0.071 54.885 54.840 -0.043 0.000 0.819 600 L CB 1.994 44.016 42.059 -0.063 0.000 1.311 600 L HN 0.853 nan 8.230 nan 0.000 0.423 601 D N 5.185 125.566 120.400 -0.032 0.000 2.404 601 D HA 0.385 5.014 4.640 -0.019 0.000 0.267 601 D C -2.628 173.653 176.300 -0.033 0.000 1.194 601 D CA -2.013 51.969 54.000 -0.030 0.000 0.910 601 D CB 1.121 41.914 40.800 -0.011 0.000 1.090 601 D HN 0.232 nan 8.370 nan 0.000 0.511 602 P HA 0.149 nan 4.420 nan 0.000 0.264 602 P C -2.627 174.653 177.300 -0.033 0.000 1.183 602 P CA -1.099 61.977 63.100 -0.041 0.000 0.763 602 P CB 0.052 31.725 31.700 -0.045 0.000 0.807 603 P HA 0.251 nan 4.420 nan 0.000 0.281 603 P C -0.073 177.211 177.300 -0.027 0.000 1.252 603 P CA -0.401 62.674 63.100 -0.041 0.000 0.778 603 P CB 0.391 32.057 31.700 -0.057 0.000 0.895 604 R N 2.805 123.297 120.500 -0.013 0.000 2.489 604 R HA -0.164 4.165 4.340 -0.019 0.000 0.287 604 R C 1.841 178.143 176.300 0.004 0.000 0.902 604 R CA 0.747 56.850 56.100 0.006 0.000 1.136 604 R CB -0.167 30.153 30.300 0.035 0.000 0.872 604 R HN 0.539 nan 8.270 nan 0.000 0.421 605 K N 2.869 123.271 120.400 0.003 0.000 2.059 605 K HA -0.305 4.004 4.320 -0.019 0.000 0.212 605 K C 0.942 177.549 176.600 0.011 0.000 1.050 605 K CA 2.113 58.401 56.287 0.002 0.000 0.927 605 K CB -0.172 32.329 32.500 0.001 0.000 0.714 605 K HN 0.503 nan 8.250 nan 0.000 0.447 606 E N 1.378 121.592 120.200 0.024 0.000 2.049 606 E HA -0.207 4.132 4.350 -0.019 0.000 0.198 606 E C 2.232 178.867 176.600 0.058 0.000 1.007 606 E CA 1.919 58.342 56.400 0.039 0.000 0.809 606 E CB -0.671 29.057 29.700 0.048 0.000 0.749 606 E HN 0.411 nan 8.360 nan 0.000 0.450 607 V N -1.084 118.874 119.914 0.074 0.000 2.324 607 V HA -0.350 3.759 4.120 -0.019 0.000 0.250 607 V C 2.171 178.289 176.094 0.040 0.000 1.060 607 V CA 1.896 64.255 62.300 0.099 0.000 1.042 607 V CB -0.615 31.210 31.823 0.004 0.000 0.650 607 V HN 0.199 nan 8.190 nan 0.000 0.450 608 M N 1.336 120.936 119.600 -0.000 0.000 2.204 608 M HA -0.217 4.252 4.480 -0.019 0.000 0.255 608 M C 2.294 178.599 176.300 0.007 0.000 1.073 608 M CA 2.813 58.105 55.300 -0.013 0.000 1.084 608 M CB -1.728 30.863 32.600 -0.014 0.000 1.289 608 M HN 0.600 nan 8.290 nan 0.000 0.419 609 G N -1.038 107.774 108.800 0.020 0.000 2.453 609 G HA2 -0.201 3.748 3.960 -0.019 0.000 0.215 609 G HA3 -0.201 3.748 3.960 -0.019 0.000 0.215 609 G C 1.537 176.464 174.900 0.045 0.000 1.201 609 G CA 1.293 46.407 45.100 0.024 0.000 0.784 609 G HN 0.538 nan 8.290 nan 0.000 0.545 610 S N 0.714 116.460 115.700 0.078 0.000 2.389 610 S HA -0.180 4.279 4.470 -0.019 0.000 0.231 610 S C 2.252 176.951 174.600 0.164 0.000 1.052 610 S CA 1.272 59.546 58.200 0.123 0.000 1.053 610 S CB -0.223 63.102 63.200 0.207 0.000 0.886 610 S HN 0.274 nan 8.310 nan 0.000 0.456 611 I N 1.520 122.179 120.570 0.148 0.000 2.142 611 I HA -0.133 4.026 4.170 -0.019 0.000 0.240 611 I C 2.726 178.869 176.117 0.042 0.000 1.078 611 I CA 1.318 62.670 61.300 0.088 0.000 1.343 611 I CB -1.473 36.509 38.000 -0.029 0.000 1.046 611 I HN 0.304 nan 8.210 nan 0.000 0.405 612 Q N 0.663 120.476 119.800 0.021 0.000 2.077 612 Q HA -0.205 4.123 4.340 -0.019 0.000 0.206 612 Q C 2.451 178.461 176.000 0.016 0.000 0.989 612 Q CA 1.561 57.371 55.803 0.011 0.000 0.853 612 Q CB -0.597 28.145 28.738 0.006 0.000 0.907 612 Q HN 0.483 nan 8.270 nan 0.000 0.418 613 L N -0.498 120.739 121.223 0.024 0.000 2.129 613 L HA -0.270 4.059 4.340 -0.019 0.000 0.212 613 L C 2.509 179.389 176.870 0.016 0.000 1.087 613 L CA 1.099 55.949 54.840 0.017 0.000 0.757 613 L CB -0.221 41.846 42.059 0.014 0.000 0.896 613 L HN 0.266 nan 8.230 nan 0.000 0.434 614 C N -1.281 118.038 119.300 0.033 0.000 2.468 614 C HA -0.036 4.413 4.460 -0.019 0.000 0.277 614 C C 2.742 177.743 174.990 0.017 0.000 1.400 614 C CA 0.053 59.089 59.018 0.030 0.000 1.770 614 C CB -0.941 26.839 27.740 0.066 0.000 1.905 614 C HN 0.438 nan 8.230 nan 0.000 0.519 615 R N 1.238 121.746 120.500 0.012 0.000 2.062 615 R HA -0.101 4.228 4.340 -0.019 0.000 0.231 615 R C 1.621 177.923 176.300 0.003 0.000 1.136 615 R CA 1.604 57.707 56.100 0.004 0.000 0.948 615 R CB -0.319 29.982 30.300 0.001 0.000 0.845 615 R HN 0.517 nan 8.270 nan 0.000 0.430 616 D N 0.464 120.866 120.400 0.004 0.000 2.224 616 D HA -0.072 4.557 4.640 -0.019 0.000 0.205 616 D C 1.556 177.856 176.300 0.001 0.000 0.965 616 D CA 1.136 55.137 54.000 0.002 0.000 0.852 616 D CB -0.100 40.701 40.800 0.002 0.000 0.947 616 D HN 0.247 nan 8.370 nan 0.000 0.494 617 A N 0.133 122.953 122.820 0.001 0.000 2.168 617 A HA 0.301 4.610 4.320 -0.019 0.000 0.215 617 A C 1.932 179.514 177.584 -0.003 0.000 1.152 617 A CA 1.300 53.336 52.037 -0.003 0.000 0.716 617 A CB -0.396 18.600 19.000 -0.006 0.000 0.794 617 A HN 0.269 nan 8.150 nan 0.000 0.465 618 G N -1.070 107.730 108.800 -0.000 0.000 2.162 618 G HA2 -0.238 3.711 3.960 -0.019 0.000 0.260 618 G HA3 -0.238 3.711 3.960 -0.019 0.000 0.260 618 G C 0.283 175.184 174.900 0.001 0.000 0.976 618 G CA 0.307 45.406 45.100 -0.000 0.000 0.655 618 G HN 0.951 nan 8.290 nan 0.000 0.533 619 I N 0.795 121.366 120.570 0.003 0.000 2.396 619 I HA 0.580 4.739 4.170 -0.019 0.000 0.292 619 I C 0.400 176.528 176.117 0.018 0.000 0.999 619 I CA -0.850 60.455 61.300 0.008 0.000 1.310 619 I CB 1.048 39.051 38.000 0.004 0.000 1.404 619 I HN 0.160 nan 8.210 nan 0.000 0.496 620 R N 5.573 126.085 120.500 0.021 0.000 2.441 620 R HA 0.522 4.851 4.340 -0.019 0.000 0.284 620 R C -1.324 174.998 176.300 0.038 0.000 1.070 620 R CA -0.510 55.602 56.100 0.021 0.000 1.047 620 R CB 1.324 31.637 30.300 0.023 0.000 1.016 620 R HN 0.584 nan 8.270 nan 0.000 0.477 621 V N 6.303 126.227 119.914 0.017 0.000 2.448 621 V HA 0.399 4.508 4.120 -0.019 0.000 0.295 621 V C 0.059 176.141 176.094 -0.020 0.000 1.025 621 V CA -0.608 61.709 62.300 0.029 0.000 0.859 621 V CB 1.687 33.522 31.823 0.020 0.000 0.988 621 V HN 0.635 nan 8.190 nan 0.000 0.431 622 I N 5.319 125.907 120.570 0.030 0.000 2.404 622 I HA 0.486 4.644 4.170 -0.019 0.000 0.293 622 I C -0.122 176.010 176.117 0.024 0.000 0.992 622 I CA -0.345 60.979 61.300 0.041 0.000 1.149 622 I CB 1.721 39.812 38.000 0.152 0.000 1.315 622 I HN 0.505 nan 8.210 nan 0.000 0.446 623 M N 7.526 127.116 119.600 -0.018 0.000 2.101 623 M HA 0.529 4.998 4.480 -0.019 0.000 0.340 623 M C -1.082 175.255 176.300 0.062 0.000 1.057 623 M CA -0.471 54.812 55.300 -0.028 0.000 0.984 623 M CB 0.948 33.480 32.600 -0.113 0.000 1.560 623 M HN 0.484 nan 8.290 nan 0.000 0.435 624 I N 2.993 123.611 120.570 0.079 0.000 2.577 624 I HA 0.510 4.669 4.170 -0.019 0.000 0.300 624 I C 0.325 176.474 176.117 0.054 0.000 0.990 624 I CA -0.308 61.055 61.300 0.106 0.000 1.283 624 I CB 1.866 39.905 38.000 0.065 0.000 1.411 624 I HN 0.715 nan 8.210 nan 0.000 0.515 625 T N 1.613 116.202 114.554 0.058 0.000 2.630 625 T HA 0.538 4.877 4.350 -0.019 0.000 0.300 625 T C 0.153 174.874 174.700 0.034 0.000 1.261 625 T CA 0.224 62.344 62.100 0.034 0.000 1.060 625 T CB 1.332 70.215 68.868 0.024 0.000 1.670 625 T HN 0.781 nan 8.240 nan 0.000 0.473 626 G N -0.011 108.806 108.800 0.030 0.000 3.040 626 G HA2 0.279 4.228 3.960 -0.019 0.000 0.214 626 G HA3 0.279 4.228 3.960 -0.019 0.000 0.214 626 G C -0.424 174.499 174.900 0.038 0.000 1.093 626 G CA -0.142 44.978 45.100 0.033 0.000 0.931 626 G HN 0.636 nan 8.290 nan 0.000 0.632 627 D N 1.233 121.653 120.400 0.034 0.000 2.390 627 D HA 0.233 4.862 4.640 -0.019 0.000 0.236 627 D C 0.800 177.127 176.300 0.045 0.000 1.189 627 D CA 0.091 54.114 54.000 0.038 0.000 0.887 627 D CB 0.604 41.422 40.800 0.031 0.000 1.198 627 D HN 0.592 nan 8.370 nan 0.000 0.444 628 N N 0.042 118.772 118.700 0.049 0.000 2.508 628 N HA -0.018 4.711 4.740 -0.019 0.000 0.264 628 N C 0.790 176.323 175.510 0.038 0.000 1.216 628 N CA -0.771 52.308 53.050 0.048 0.000 0.943 628 N CB 1.163 39.681 38.487 0.052 0.000 1.113 628 N HN 0.336 nan 8.380 nan 0.000 0.447 629 K N 1.742 122.162 120.400 0.033 0.000 2.107 629 K HA -0.256 4.053 4.320 -0.019 0.000 0.211 629 K C 1.772 178.377 176.600 0.007 0.000 1.049 629 K CA 2.068 58.365 56.287 0.016 0.000 0.927 629 K CB -0.789 31.716 32.500 0.007 0.000 0.714 629 K HN 0.825 nan 8.250 nan 0.000 0.452 630 G N -0.127 108.679 108.800 0.011 0.000 2.552 630 G HA2 -0.269 3.680 3.960 -0.019 0.000 0.216 630 G HA3 -0.269 3.680 3.960 -0.019 0.000 0.216 630 G C 1.376 176.290 174.900 0.023 0.000 1.240 630 G CA 1.564 46.670 45.100 0.010 0.000 0.796 630 G HN 0.376 nan 8.290 nan 0.000 0.568 631 T N 1.678 116.253 114.554 0.035 0.000 2.929 631 T HA 0.086 4.424 4.350 -0.019 0.000 0.271 631 T C 2.663 177.383 174.700 0.033 0.000 1.085 631 T CA 1.301 63.425 62.100 0.040 0.000 1.125 631 T CB -0.276 68.621 68.868 0.049 0.000 0.874 631 T HN 0.422 nan 8.240 nan 0.000 0.494 632 A N 1.530 124.369 122.820 0.032 0.000 1.858 632 A HA -0.021 4.288 4.320 -0.019 0.000 0.216 632 A C 2.267 179.879 177.584 0.048 0.000 1.190 632 A CA 1.156 53.211 52.037 0.031 0.000 0.617 632 A CB -0.726 18.292 19.000 0.031 0.000 0.827 632 A HN 0.502 nan 8.150 nan 0.000 0.443 633 I N -0.319 120.289 120.570 0.064 0.000 2.226 633 I HA -0.288 3.871 4.170 -0.019 0.000 0.245 633 I C 2.950 179.135 176.117 0.114 0.000 1.100 633 I CA 1.058 62.433 61.300 0.126 0.000 1.374 633 I CB -0.341 37.682 38.000 0.039 0.000 1.057 633 I HN 0.389 nan 8.210 nan 0.000 0.413 634 A N 1.117 123.972 122.820 0.059 0.000 1.972 634 A HA -0.160 4.149 4.320 -0.019 0.000 0.219 634 A C 2.173 179.776 177.584 0.032 0.000 1.169 634 A CA 1.251 53.315 52.037 0.046 0.000 0.635 634 A CB -0.518 18.504 19.000 0.036 0.000 0.810 634 A HN 0.364 nan 8.150 nan 0.000 0.446 635 I N -0.568 120.013 120.570 0.018 0.000 2.353 635 I HA -0.207 3.952 4.170 -0.019 0.000 0.248 635 I C 2.522 178.616 176.117 -0.038 0.000 1.119 635 I CA 0.834 62.125 61.300 -0.014 0.000 1.417 635 I CB -1.861 36.124 38.000 -0.026 0.000 1.078 635 I HN 0.327 nan 8.210 nan 0.000 0.421 636 C N 1.255 120.540 119.300 -0.024 0.000 2.413 636 C HA -0.154 4.295 4.460 -0.019 0.000 0.276 636 C C 3.085 178.021 174.990 -0.091 0.000 1.236 636 C CA 0.854 59.802 59.018 -0.116 0.000 1.735 636 C CB -0.989 26.666 27.740 -0.141 0.000 2.031 636 C HN 0.453 nan 8.230 nan 0.000 0.474 637 R N 0.270 120.805 120.500 0.058 0.000 2.070 637 R HA -0.147 4.182 4.340 -0.019 0.000 0.233 637 R C 2.511 178.810 176.300 -0.002 0.000 1.137 637 R CA 1.428 57.566 56.100 0.063 0.000 0.945 637 R CB -0.542 29.812 30.300 0.090 0.000 0.845 637 R HN 0.545 nan 8.270 nan 0.000 0.430 638 R N 1.924 122.418 120.500 -0.010 0.000 2.127 638 R HA -0.140 4.189 4.340 -0.019 0.000 0.238 638 R C 2.082 178.354 176.300 -0.047 0.000 1.134 638 R CA 1.746 57.832 56.100 -0.024 0.000 0.975 638 R CB -0.297 29.990 30.300 -0.021 0.000 0.865 638 R HN 0.418 nan 8.270 nan 0.000 0.447 639 I N -3.571 116.953 120.570 -0.076 0.000 3.578 639 I HA 0.352 4.511 4.170 -0.019 0.000 0.295 639 I C 0.894 176.947 176.117 -0.107 0.000 1.280 639 I CA 0.664 61.903 61.300 -0.102 0.000 1.347 639 I CB 0.579 38.487 38.000 -0.153 0.000 1.051 639 I HN 0.225 nan 8.210 nan 0.000 0.460 640 G N 1.677 110.418 108.800 -0.097 0.000 2.130 640 G HA2 -0.206 3.743 3.960 -0.019 0.000 0.216 640 G HA3 -0.206 3.743 3.960 -0.019 0.000 0.216 640 G C 0.582 175.394 174.900 -0.148 0.000 0.999 640 G CA 0.262 45.310 45.100 -0.086 0.000 0.686 640 G HN 0.309 nan 8.290 nan 0.000 0.515 641 I N -0.690 119.717 120.570 -0.272 0.000 2.315 641 I HA 0.178 4.337 4.170 -0.019 0.000 0.248 641 I C 1.091 176.864 176.117 -0.574 0.000 1.117 641 I CA 1.195 62.202 61.300 -0.489 0.000 1.404 641 I CB -0.762 36.800 38.000 -0.731 0.000 1.071 641 I HN 0.180 nan 8.210 nan 0.000 0.419 642 F N -0.274 119.645 119.950 -0.051 0.000 2.579 642 F HA 0.634 5.149 4.527 -0.019 0.000 0.324 642 F C 1.044 176.821 175.800 -0.039 0.000 1.058 642 F CA -1.447 56.524 58.000 -0.048 0.000 0.944 642 F CB 0.381 39.348 39.000 -0.056 0.000 1.245 642 F HN -0.183 nan 8.300 nan 0.000 0.477 643 G N -0.059 108.850 108.800 0.182 0.000 2.594 643 G HA2 0.094 4.043 3.960 -0.019 0.000 0.243 643 G HA3 0.094 4.043 3.960 -0.019 0.000 0.243 643 G C 0.669 175.612 174.900 0.071 0.000 1.229 643 G CA -0.290 44.860 45.100 0.084 0.000 0.843 643 G HN 0.818 nan 8.290 nan 0.000 0.578 644 E N 0.078 120.301 120.200 0.037 0.000 2.331 644 E HA -0.119 4.220 4.350 -0.019 0.000 0.199 644 E C 0.695 177.302 176.600 0.012 0.000 1.008 644 E CA 0.867 57.281 56.400 0.024 0.000 0.843 644 E CB 0.150 29.857 29.700 0.011 0.000 0.761 644 E HN 0.500 nan 8.360 nan 0.000 0.507 645 N N 0.184 118.886 118.700 0.003 0.000 2.082 645 N HA 0.007 4.736 4.740 -0.019 0.000 0.228 645 N C -0.640 174.850 175.510 -0.034 0.000 1.341 645 N CA 0.060 53.100 53.050 -0.016 0.000 0.873 645 N CB 0.800 39.278 38.487 -0.015 0.000 1.137 645 N HN 0.266 nan 8.380 nan 0.000 0.505 646 E N 0.459 120.640 120.200 -0.032 0.000 2.376 646 E HA 0.211 4.549 4.350 -0.019 0.000 0.254 646 E C -0.176 176.352 176.600 -0.120 0.000 1.213 646 E CA -0.420 55.946 56.400 -0.056 0.000 0.945 646 E CB 0.853 30.538 29.700 -0.026 0.000 1.057 646 E HN -0.152 nan 8.360 nan 0.000 0.479 647 E N -0.080 120.045 120.200 -0.125 0.000 2.404 647 E HA 0.107 4.446 4.350 -0.019 0.000 0.261 647 E C 0.270 176.696 176.600 -0.289 0.000 1.074 647 E CA 0.238 56.535 56.400 -0.172 0.000 0.917 647 E CB 1.585 31.212 29.700 -0.122 0.000 0.965 647 E HN 0.544 nan 8.360 nan 0.000 0.433 648 V N -2.239 117.467 119.914 -0.345 0.000 3.968 648 V HA 0.210 4.319 4.120 -0.019 0.000 0.298 648 V C 1.256 177.113 176.094 -0.396 0.000 1.699 648 V CA 0.297 62.279 62.300 -0.531 0.000 1.282 648 V CB -0.378 30.897 31.823 -0.914 0.000 0.994 648 V HN 0.534 nan 8.190 nan 0.000 0.402 649 A N 2.653 125.308 122.820 -0.276 0.000 1.869 649 A HA -0.251 4.058 4.320 -0.019 0.000 0.218 649 A C 1.544 178.949 177.584 -0.298 0.000 1.203 649 A CA 2.676 54.570 52.037 -0.239 0.000 0.638 649 A CB -0.759 18.148 19.000 -0.156 0.000 0.831 649 A HN 0.898 nan 8.150 nan 0.000 0.450 650 D N -2.024 118.240 120.400 -0.228 0.000 2.889 650 D HA 0.164 4.792 4.640 -0.019 0.000 0.243 650 D C 0.887 177.078 176.300 -0.182 0.000 1.270 650 D CA -0.211 53.672 54.000 -0.196 0.000 0.838 650 D CB 0.018 40.816 40.800 -0.003 0.000 1.040 650 D HN 0.423 nan 8.370 nan 0.000 0.480 651 R N -0.275 120.024 120.500 -0.335 0.000 2.507 651 R HA 0.394 4.723 4.340 -0.019 0.000 0.230 651 R C 0.241 176.408 176.300 -0.220 0.000 0.897 651 R CA 0.005 56.004 56.100 -0.168 0.000 1.006 651 R CB 0.837 31.049 30.300 -0.146 0.000 1.341 651 R HN 0.190 nan 8.270 nan 0.000 0.604 652 A N 0.983 123.526 122.820 -0.462 0.000 2.355 652 A HA 0.762 5.071 4.320 -0.019 0.000 0.317 652 A C -1.458 175.756 177.584 -0.616 0.000 1.094 652 A CA -0.435 51.372 52.037 -0.385 0.000 0.764 652 A CB 1.031 19.920 19.000 -0.185 0.000 1.230 652 A HN 0.101 nan 8.150 nan 0.000 0.448 653 Y N -0.077 120.109 120.300 -0.190 0.000 2.605 653 Y HA 0.642 5.180 4.550 -0.019 0.000 0.343 653 Y C 0.972 176.907 175.900 0.059 0.000 1.036 653 Y CA -0.360 57.737 58.100 -0.005 0.000 1.065 653 Y CB 2.347 40.903 38.460 0.159 0.000 1.288 653 Y HN 0.784 nan 8.280 nan 0.000 0.481 654 T N -2.563 112.152 114.554 0.270 0.000 2.910 654 T HA 0.447 4.786 4.350 -0.019 0.000 0.279 654 T C 1.244 176.047 174.700 0.172 0.000 0.989 654 T CA -0.258 61.950 62.100 0.179 0.000 0.968 654 T CB 1.219 70.160 68.868 0.121 0.000 1.135 654 T HN 0.806 nan 8.240 nan 0.000 0.562 655 G N 0.520 109.350 108.800 0.050 0.000 2.545 655 G HA2 -0.277 3.672 3.960 -0.019 0.000 0.217 655 G HA3 -0.277 3.672 3.960 -0.019 0.000 0.217 655 G C 1.599 176.579 174.900 0.133 0.000 1.218 655 G CA 0.967 46.029 45.100 -0.062 0.000 0.787 655 G HN 0.672 nan 8.290 nan 0.000 0.571 656 R N 0.898 121.487 120.500 0.148 0.000 2.115 656 R HA 0.046 4.375 4.340 -0.019 0.000 0.230 656 R C 2.445 178.854 176.300 0.180 0.000 1.111 656 R CA 1.665 57.862 56.100 0.163 0.000 0.976 656 R CB -0.628 29.742 30.300 0.117 0.000 0.870 656 R HN 0.583 nan 8.270 nan 0.000 0.445 657 E N -1.029 119.293 120.200 0.203 0.000 2.038 657 E HA -0.224 4.115 4.350 -0.019 0.000 0.195 657 E C 1.658 178.405 176.600 0.245 0.000 1.000 657 E CA 1.568 58.105 56.400 0.229 0.000 0.803 657 E CB -0.317 29.566 29.700 0.305 0.000 0.750 657 E HN 0.299 nan 8.360 nan 0.000 0.448 658 F N 1.921 121.959 119.950 0.146 0.000 2.216 658 F HA -0.200 4.315 4.527 -0.019 0.000 0.300 658 F C 1.712 177.581 175.800 0.114 0.000 1.085 658 F CA 1.434 59.486 58.000 0.086 0.000 1.326 658 F CB 0.093 39.172 39.000 0.132 0.000 1.027 658 F HN -0.066 nan 8.300 nan 0.000 0.497 659 D N -0.134 120.426 120.400 0.266 0.000 2.224 659 D HA -0.147 4.482 4.640 -0.019 0.000 0.205 659 D C 1.676 178.002 176.300 0.044 0.000 0.965 659 D CA 1.097 55.197 54.000 0.166 0.000 0.852 659 D CB -0.401 40.531 40.800 0.220 0.000 0.947 659 D HN 0.372 nan 8.370 nan 0.000 0.494 660 D N 0.008 120.436 120.400 0.046 0.000 2.363 660 D HA -0.004 4.625 4.640 -0.019 0.000 0.226 660 D C 0.353 176.634 176.300 -0.031 0.000 1.020 660 D CA 0.220 54.231 54.000 0.018 0.000 0.892 660 D CB 0.583 41.409 40.800 0.043 0.000 0.900 660 D HN 0.235 nan 8.370 nan 0.000 0.531 661 L N 2.164 123.325 121.223 -0.104 0.000 2.307 661 L HA 0.357 4.685 4.340 -0.019 0.000 0.282 661 L C -2.124 174.647 176.870 -0.165 0.000 1.051 661 L CA -1.967 52.780 54.840 -0.155 0.000 0.804 661 L CB 1.080 42.981 42.059 -0.262 0.000 1.197 661 L HN -0.276 nan 8.230 nan 0.000 0.431 662 P HA 0.117 nan 4.420 nan 0.000 0.272 662 P C 0.701 177.925 177.300 -0.126 0.000 1.230 662 P CA -0.479 62.566 63.100 -0.092 0.000 0.788 662 P CB 1.009 32.672 31.700 -0.060 0.000 0.949 663 L N 1.632 122.811 121.223 -0.072 0.000 2.021 663 L HA -0.284 4.045 4.340 -0.019 0.000 0.215 663 L C 2.798 179.587 176.870 -0.134 0.000 1.074 663 L CA 2.924 57.736 54.840 -0.047 0.000 0.760 663 L CB -1.874 40.221 42.059 0.059 0.000 0.889 663 L HN 0.410 nan 8.230 nan 0.000 0.433 664 A N 0.080 122.844 122.820 -0.092 0.000 1.903 664 A HA -0.283 4.026 4.320 -0.019 0.000 0.219 664 A C 2.242 179.744 177.584 -0.136 0.000 1.191 664 A CA 2.320 54.302 52.037 -0.092 0.000 0.638 664 A CB -0.625 18.343 19.000 -0.053 0.000 0.823 664 A HN 0.639 nan 8.150 nan 0.000 0.451 665 E N -0.779 119.326 120.200 -0.158 0.000 2.299 665 E HA -0.102 4.237 4.350 -0.019 0.000 0.193 665 E C 2.134 178.560 176.600 -0.291 0.000 0.998 665 E CA 0.650 56.950 56.400 -0.167 0.000 0.851 665 E CB -0.180 29.442 29.700 -0.130 0.000 0.795 665 E HN 0.745 nan 8.360 nan 0.000 0.492 666 Q N 1.108 120.639 119.800 -0.449 0.000 1.993 666 Q HA -0.153 4.176 4.340 -0.019 0.000 0.202 666 Q C 2.344 177.944 176.000 -0.666 0.000 0.984 666 Q CA 1.284 56.657 55.803 -0.716 0.000 0.837 666 Q CB -0.159 28.098 28.738 -0.802 0.000 0.902 666 Q HN 0.142 nan 8.270 nan 0.000 0.423 667 R N 0.949 120.885 120.500 -0.940 0.000 2.096 667 R HA -0.243 4.086 4.340 -0.019 0.000 0.240 667 R C 1.883 178.117 176.300 -0.111 0.000 1.139 667 R CA 1.943 57.573 56.100 -0.784 0.000 0.952 667 R CB -0.061 29.998 30.300 -0.401 0.000 0.854 667 R HN 0.228 nan 8.270 nan 0.000 0.436 668 E N -0.198 119.958 120.200 -0.074 0.000 2.031 668 E HA -0.148 4.191 4.350 -0.019 0.000 0.193 668 E C 1.831 178.448 176.600 0.028 0.000 0.994 668 E CA 1.523 57.948 56.400 0.042 0.000 0.800 668 E CB -0.179 29.525 29.700 0.006 0.000 0.752 668 E HN 0.510 nan 8.360 nan 0.000 0.447 669 A N -0.156 122.658 122.820 -0.009 0.000 2.139 669 A HA -0.221 4.088 4.320 -0.019 0.000 0.221 669 A C 2.181 179.865 177.584 0.166 0.000 1.159 669 A CA 1.283 53.356 52.037 0.060 0.000 0.662 669 A CB -0.756 18.128 19.000 -0.194 0.000 0.796 669 A HN 0.450 nan 8.150 nan 0.000 0.463 670 C N -0.727 118.677 119.300 0.174 0.000 2.514 670 C HA 0.036 4.485 4.460 -0.019 0.000 0.271 670 C C 2.620 177.685 174.990 0.124 0.000 1.399 670 C CA 0.776 59.946 59.018 0.253 0.000 1.765 670 C CB -1.077 26.867 27.740 0.340 0.000 1.893 670 C HN 0.790 nan 8.230 nan 0.000 0.531 671 R N 1.302 121.773 120.500 -0.049 0.000 2.280 671 R HA 0.073 4.402 4.340 -0.019 0.000 0.195 671 R C 1.818 178.072 176.300 -0.076 0.000 0.935 671 R CA 0.462 56.444 56.100 -0.197 0.000 1.033 671 R CB -0.346 29.588 30.300 -0.609 0.000 0.964 671 R HN 0.591 nan 8.270 nan 0.000 0.489 672 R N 0.359 120.860 120.500 0.001 0.000 2.404 672 R HA 0.401 4.729 4.340 -0.019 0.000 0.237 672 R C 0.168 176.520 176.300 0.087 0.000 0.907 672 R CA 0.132 56.254 56.100 0.037 0.000 1.063 672 R CB 0.503 30.825 30.300 0.037 0.000 1.134 672 R HN 0.048 nan 8.270 nan 0.000 0.529 673 A N 0.443 123.334 122.820 0.119 0.000 2.407 673 A HA 0.375 4.683 4.320 -0.019 0.000 0.248 673 A C 0.412 178.014 177.584 0.030 0.000 1.082 673 A CA -0.393 51.694 52.037 0.083 0.000 0.785 673 A CB 0.618 19.673 19.000 0.092 0.000 1.020 673 A HN 0.502 nan 8.150 nan 0.000 0.489 674 C N -0.256 119.023 119.300 -0.034 0.000 4.259 674 C HA 0.373 4.822 4.460 -0.019 0.000 0.404 674 C C 0.240 175.161 174.990 -0.115 0.000 1.673 674 C CA -0.071 58.923 59.018 -0.041 0.000 2.002 674 C CB -0.956 26.767 27.740 -0.028 0.000 3.094 674 C HN 0.942 nan 8.230 nan 0.000 0.681 675 C N 1.474 120.644 119.300 -0.217 0.000 2.752 675 C HA 0.728 5.177 4.460 -0.019 0.000 0.360 675 C C -1.920 172.845 174.990 -0.375 0.000 1.081 675 C CA -0.491 58.424 59.018 -0.171 0.000 1.272 675 C CB -0.413 27.324 27.740 -0.006 0.000 1.754 675 C HN 0.386 nan 8.230 nan 0.000 0.483 676 F N 4.642 124.602 119.950 0.016 0.000 2.477 676 F HA 0.698 5.214 4.527 -0.019 0.000 0.335 676 F C 0.618 176.404 175.800 -0.023 0.000 1.130 676 F CA -0.162 57.831 58.000 -0.012 0.000 0.948 676 F CB 1.795 40.736 39.000 -0.097 0.000 1.154 676 F HN 0.860 nan 8.300 nan 0.000 0.439 677 A N 3.421 126.327 122.820 0.144 0.000 2.324 677 A HA 0.760 5.069 4.320 -0.019 0.000 0.330 677 A C 0.049 177.675 177.584 0.069 0.000 1.165 677 A CA -0.835 51.253 52.037 0.085 0.000 0.813 677 A CB 0.669 19.704 19.000 0.059 0.000 1.197 677 A HN 0.788 nan 8.150 nan 0.000 0.484 678 R N -0.229 120.301 120.500 0.051 0.000 2.865 678 R HA -0.137 4.192 4.340 -0.019 0.000 0.269 678 R C -0.728 175.577 176.300 0.008 0.000 0.915 678 R CA 0.562 56.687 56.100 0.042 0.000 0.715 678 R CB -2.103 28.232 30.300 0.057 0.000 1.735 678 R HN 0.678 nan 8.270 nan 0.000 0.506 679 V N 0.810 120.714 119.914 -0.017 0.000 3.019 679 V HA 0.437 4.546 4.120 -0.019 0.000 0.317 679 V C 0.050 176.171 176.094 0.046 0.000 1.094 679 V CA -0.763 61.467 62.300 -0.115 0.000 1.000 679 V CB 2.687 34.388 31.823 -0.204 0.000 1.060 679 V HN 0.451 nan 8.190 nan 0.000 0.443 680 E N 3.972 124.334 120.200 0.270 0.000 2.242 680 E HA 0.482 4.821 4.350 -0.019 0.000 0.275 680 E C -1.840 174.867 176.600 0.178 0.000 1.002 680 E CA -2.106 54.439 56.400 0.241 0.000 0.841 680 E CB 1.728 31.562 29.700 0.224 0.000 1.109 680 E HN 0.378 nan 8.360 nan 0.000 0.394 681 P HA -0.229 nan 4.420 nan 0.000 0.217 681 P C 1.241 178.523 177.300 -0.030 0.000 1.148 681 P CA 1.219 64.319 63.100 -0.001 0.000 0.828 681 P CB 0.192 31.873 31.700 -0.032 0.000 0.783 682 S N -0.659 115.002 115.700 -0.066 0.000 2.407 682 S HA -0.262 4.197 4.470 -0.019 0.000 0.235 682 S C 1.799 176.276 174.600 -0.206 0.000 1.036 682 S CA 1.658 59.765 58.200 -0.156 0.000 1.013 682 S CB -1.024 62.042 63.200 -0.223 0.000 0.820 682 S HN 0.273 nan 8.310 nan 0.000 0.476 683 H N 0.746 119.756 119.070 -0.099 0.000 2.333 683 H HA 0.183 4.728 4.556 -0.019 0.000 0.302 683 H C 2.325 177.514 175.328 -0.231 0.000 1.075 683 H CA 1.492 57.438 56.048 -0.169 0.000 1.348 683 H CB -0.164 29.431 29.762 -0.278 0.000 1.393 683 H HN 0.369 nan 8.280 nan 0.000 0.509 684 K N 0.280 120.631 120.400 -0.081 0.000 2.107 684 K HA -0.205 4.104 4.320 -0.019 0.000 0.211 684 K C 2.356 178.892 176.600 -0.107 0.000 1.049 684 K CA 1.777 57.993 56.287 -0.118 0.000 0.927 684 K CB -0.166 32.289 32.500 -0.076 0.000 0.714 684 K HN 0.144 nan 8.250 nan 0.000 0.452 685 S N 0.735 116.375 115.700 -0.100 0.000 2.345 685 S HA -0.116 4.342 4.470 -0.019 0.000 0.220 685 S C 1.725 176.236 174.600 -0.147 0.000 1.031 685 S CA 1.288 59.423 58.200 -0.108 0.000 0.996 685 S CB -0.058 63.079 63.200 -0.105 0.000 0.882 685 S HN 0.272 nan 8.310 nan 0.000 0.445 686 K N 0.708 121.008 120.400 -0.167 0.000 2.103 686 K HA -0.054 4.255 4.320 -0.019 0.000 0.207 686 K C 1.915 178.357 176.600 -0.264 0.000 1.048 686 K CA 1.315 57.441 56.287 -0.269 0.000 0.930 686 K CB -0.325 32.111 32.500 -0.107 0.000 0.716 686 K HN 0.339 nan 8.250 nan 0.000 0.444 687 I N 0.144 120.652 120.570 -0.103 0.000 2.202 687 I HA -0.257 3.902 4.170 -0.019 0.000 0.242 687 I C 2.207 178.346 176.117 0.036 0.000 1.091 687 I CA 0.842 62.144 61.300 0.003 0.000 1.368 687 I CB -0.239 37.630 38.000 -0.219 0.000 1.058 687 I HN -0.064 nan 8.210 nan 0.000 0.410 688 V N 0.832 120.726 119.914 -0.032 0.000 2.255 688 V HA -0.363 3.746 4.120 -0.019 0.000 0.247 688 V C 2.502 178.597 176.094 0.000 0.000 1.051 688 V CA 2.385 64.682 62.300 -0.004 0.000 1.018 688 V CB -0.557 31.249 31.823 -0.029 0.000 0.641 688 V HN 0.477 nan 8.190 nan 0.000 0.445 689 E N -0.897 119.256 120.200 -0.079 0.000 2.055 689 E HA -0.303 4.036 4.350 -0.019 0.000 0.209 689 E C 2.190 178.782 176.600 -0.012 0.000 1.036 689 E CA 2.449 58.783 56.400 -0.109 0.000 0.849 689 E CB -0.337 29.210 29.700 -0.254 0.000 0.767 689 E HN 0.654 nan 8.360 nan 0.000 0.461 690 Y N -0.207 120.130 120.300 0.061 0.000 2.151 690 Y HA -0.219 4.320 4.550 -0.019 0.000 0.284 690 Y C 2.167 178.165 175.900 0.163 0.000 1.166 690 Y CA 0.895 59.056 58.100 0.101 0.000 1.163 690 Y CB -0.665 37.907 38.460 0.186 0.000 0.974 690 Y HN 0.182 nan 8.280 nan 0.000 0.511 691 L N -0.056 121.365 121.223 0.331 0.000 2.127 691 L HA -0.235 4.094 4.340 -0.019 0.000 0.211 691 L C 2.162 179.173 176.870 0.236 0.000 1.089 691 L CA 1.655 56.673 54.840 0.296 0.000 0.757 691 L CB -1.220 40.950 42.059 0.186 0.000 0.899 691 L HN 0.346 nan 8.230 nan 0.000 0.434 692 Q N -1.378 118.505 119.800 0.139 0.000 2.163 692 Q HA -0.069 4.260 4.340 -0.019 0.000 0.198 692 Q C 2.009 178.033 176.000 0.041 0.000 0.954 692 Q CA 1.200 57.050 55.803 0.078 0.000 0.851 692 Q CB -0.177 28.581 28.738 0.033 0.000 0.928 692 Q HN 0.596 nan 8.270 nan 0.000 0.459 693 S N -0.344 115.351 115.700 -0.009 0.000 2.626 693 S HA -0.131 4.328 4.470 -0.019 0.000 0.245 693 S C 0.368 174.746 174.600 -0.370 0.000 0.973 693 S CA 0.668 58.768 58.200 -0.167 0.000 0.959 693 S CB -0.160 62.924 63.200 -0.194 0.000 0.762 693 S HN 0.351 nan 8.310 nan 0.000 0.539 694 Y N 0.739 121.078 120.300 0.065 0.000 2.719 694 Y HA 0.307 4.846 4.550 -0.019 0.000 0.251 694 Y C 0.163 176.086 175.900 0.038 0.000 1.159 694 Y CA -1.463 56.668 58.100 0.051 0.000 1.166 694 Y CB 0.020 38.515 38.460 0.059 0.000 1.219 694 Y HN 0.134 nan 8.280 nan 0.000 0.551 695 D N 1.436 121.911 120.400 0.125 0.000 2.733 695 D HA -0.246 4.383 4.640 -0.019 0.000 0.232 695 D C -0.203 176.149 176.300 0.086 0.000 1.161 695 D CA 1.063 55.113 54.000 0.083 0.000 0.653 695 D CB -0.469 40.370 40.800 0.065 0.000 1.052 695 D HN 0.545 nan 8.370 nan 0.000 0.424 696 E N -0.302 119.964 120.200 0.109 0.000 2.156 696 E HA 0.339 4.678 4.350 -0.019 0.000 0.279 696 E C 0.242 176.875 176.600 0.054 0.000 0.965 696 E CA -0.914 55.536 56.400 0.083 0.000 0.789 696 E CB 1.004 30.768 29.700 0.106 0.000 1.098 696 E HN 0.031 nan 8.360 nan 0.000 0.397 697 I N 3.123 123.709 120.570 0.027 0.000 2.452 697 I HA 0.033 4.192 4.170 -0.019 0.000 0.287 697 I C 0.075 176.202 176.117 0.015 0.000 1.079 697 I CA 0.572 61.878 61.300 0.010 0.000 1.387 697 I CB 0.927 38.919 38.000 -0.014 0.000 1.404 697 I HN 0.324 nan 8.210 nan 0.000 0.522 698 T N 6.294 120.859 114.554 0.018 0.000 2.786 698 T HA 0.715 5.054 4.350 -0.019 0.000 0.283 698 T C -0.079 174.628 174.700 0.012 0.000 0.992 698 T CA -0.686 61.429 62.100 0.025 0.000 0.954 698 T CB 1.339 70.229 68.868 0.037 0.000 0.934 698 T HN 0.631 nan 8.240 nan 0.000 0.440 699 A N 3.821 126.649 122.820 0.013 0.000 2.301 699 A HA 0.804 5.113 4.320 -0.019 0.000 0.298 699 A C -0.299 177.298 177.584 0.022 0.000 1.185 699 A CA -0.652 51.388 52.037 0.006 0.000 0.830 699 A CB 0.412 19.407 19.000 -0.007 0.000 1.112 699 A HN 0.781 nan 8.150 nan 0.000 0.508 700 M N 2.987 122.596 119.600 0.014 0.000 2.267 700 M HA 0.474 4.943 4.480 -0.019 0.000 0.289 700 M C -0.044 176.266 176.300 0.016 0.000 1.043 700 M CA -0.074 55.238 55.300 0.019 0.000 0.928 700 M CB 2.029 34.632 32.600 0.005 0.000 1.613 700 M HN 0.790 nan 8.290 nan 0.000 0.450 701 T N 1.415 115.987 114.554 0.030 0.000 2.934 701 T HA 1.010 5.349 4.350 -0.019 0.000 0.283 701 T C 0.104 174.813 174.700 0.015 0.000 1.005 701 T CA -0.089 62.027 62.100 0.026 0.000 1.041 701 T CB 1.502 70.400 68.868 0.050 0.000 1.042 701 T HN 1.240 nan 8.240 nan 0.000 0.505 702 G N 1.083 109.888 108.800 0.009 0.000 2.377 702 G HA2 0.485 4.434 3.960 -0.019 0.000 0.297 702 G HA3 0.485 4.434 3.960 -0.019 0.000 0.297 702 G C -2.091 172.810 174.900 0.001 0.000 1.547 702 G CA -0.443 44.659 45.100 0.002 0.000 0.833 702 G HN 1.075 nan 8.290 nan 0.000 0.583 703 D N -1.031 119.369 120.400 -0.001 0.000 2.610 703 D HA 0.723 5.352 4.640 -0.019 0.000 0.271 703 D C 0.344 176.639 176.300 -0.008 0.000 1.174 703 D CA 0.102 54.101 54.000 -0.001 0.000 0.949 703 D CB 1.537 42.340 40.800 0.004 0.000 1.430 703 D HN 2.189 nan 8.370 nan 0.000 0.467 704 G N -0.689 108.107 108.800 -0.007 0.000 2.862 704 G HA2 -0.034 3.915 3.960 -0.019 0.000 0.686 704 G HA3 -0.034 3.915 3.960 -0.019 0.000 0.686 704 G C 0.980 175.867 174.900 -0.020 0.000 1.134 704 G CA 0.178 45.267 45.100 -0.018 0.000 0.791 704 G HN 1.403 nan 8.290 nan 0.000 0.592 705 V N -0.020 119.882 119.914 -0.020 0.000 2.527 705 V HA -0.308 3.801 4.120 -0.019 0.000 0.255 705 V C 2.393 178.463 176.094 -0.039 0.000 1.081 705 V CA 2.608 64.897 62.300 -0.019 0.000 1.092 705 V CB -0.511 31.303 31.823 -0.014 0.000 0.673 705 V HN 0.774 nan 8.190 nan 0.000 0.470 706 N N 1.608 120.275 118.700 -0.055 0.000 2.091 706 N HA -0.187 4.542 4.740 -0.019 0.000 0.193 706 N C 1.294 176.774 175.510 -0.050 0.000 1.021 706 N CA 2.216 55.227 53.050 -0.065 0.000 0.862 706 N CB -0.503 37.943 38.487 -0.069 0.000 1.018 706 N HN 0.692 nan 8.380 nan 0.000 0.429 707 D N -0.465 119.913 120.400 -0.037 0.000 2.349 707 D HA 0.213 4.842 4.640 -0.019 0.000 0.214 707 D C 1.514 177.797 176.300 -0.028 0.000 1.063 707 D CA 0.068 54.049 54.000 -0.032 0.000 0.847 707 D CB -0.059 40.728 40.800 -0.023 0.000 0.933 707 D HN 0.161 nan 8.370 nan 0.000 0.513 708 A N 1.798 124.602 122.820 -0.025 0.000 1.908 708 A HA -0.103 4.206 4.320 -0.019 0.000 0.218 708 A C -0.229 177.339 177.584 -0.026 0.000 1.181 708 A CA 1.143 53.168 52.037 -0.020 0.000 0.627 708 A CB -1.313 17.679 19.000 -0.013 0.000 0.818 708 A HN 0.170 nan 8.150 nan 0.000 0.445 709 P HA -0.057 nan 4.420 nan 0.000 0.220 709 P C 1.446 178.721 177.300 -0.041 0.000 1.148 709 P CA 1.748 64.825 63.100 -0.038 0.000 0.803 709 P CB -0.018 31.654 31.700 -0.047 0.000 0.782 710 A N -0.839 121.956 122.820 -0.042 0.000 1.984 710 A HA 0.018 4.327 4.320 -0.019 0.000 0.214 710 A C 2.026 179.591 177.584 -0.031 0.000 1.173 710 A CA 0.674 52.686 52.037 -0.042 0.000 0.673 710 A CB -1.296 17.676 19.000 -0.047 0.000 0.830 710 A HN 0.091 nan 8.150 nan 0.000 0.453 711 L N -0.632 120.576 121.223 -0.026 0.000 2.376 711 L HA -0.084 4.245 4.340 -0.019 0.000 0.219 711 L C 2.407 179.265 176.870 -0.021 0.000 1.133 711 L CA 1.515 56.343 54.840 -0.020 0.000 0.816 711 L CB -0.323 41.727 42.059 -0.016 0.000 0.933 711 L HN 0.456 nan 8.230 nan 0.000 0.449 712 K N 0.515 120.901 120.400 -0.024 0.000 2.098 712 K HA -0.089 4.220 4.320 -0.019 0.000 0.203 712 K C 2.207 178.792 176.600 -0.025 0.000 1.051 712 K CA 0.739 57.011 56.287 -0.024 0.000 0.957 712 K CB 0.194 32.679 32.500 -0.025 0.000 0.738 712 K HN 0.012 nan 8.250 nan 0.000 0.447 713 K N 0.543 120.926 120.400 -0.029 0.000 2.097 713 K HA -0.011 4.298 4.320 -0.019 0.000 0.206 713 K C 0.319 176.906 176.600 -0.022 0.000 1.049 713 K CA 0.779 57.049 56.287 -0.030 0.000 0.933 713 K CB -0.090 32.386 32.500 -0.041 0.000 0.717 713 K HN 0.212 nan 8.250 nan 0.000 0.442 714 A N 1.620 124.429 122.820 -0.019 0.000 2.450 714 A HA 0.051 4.360 4.320 -0.019 0.000 0.255 714 A C 0.614 178.191 177.584 -0.011 0.000 1.096 714 A CA -0.168 51.863 52.037 -0.011 0.000 0.778 714 A CB 0.413 19.408 19.000 -0.008 0.000 1.031 714 A HN 0.173 nan 8.150 nan 0.000 0.494 715 E N 1.245 121.441 120.200 -0.007 0.000 2.169 715 E HA -0.197 4.141 4.350 -0.019 0.000 0.202 715 E C -0.247 176.344 176.600 -0.014 0.000 1.016 715 E CA 1.765 58.158 56.400 -0.010 0.000 0.817 715 E CB -0.295 29.400 29.700 -0.008 0.000 0.736 715 E HN 0.649 nan 8.360 nan 0.000 0.462 716 I N 0.090 120.652 120.570 -0.014 0.000 2.495 716 I HA 0.289 4.448 4.170 -0.019 0.000 0.277 716 I C 0.315 176.423 176.117 -0.015 0.000 1.045 716 I CA -0.407 60.882 61.300 -0.018 0.000 1.135 716 I CB 1.722 39.708 38.000 -0.024 0.000 1.241 716 I HN -0.099 nan 8.210 nan 0.000 0.469 717 G N 6.681 115.471 108.800 -0.016 0.000 2.432 717 G HA2 0.646 4.595 3.960 -0.019 0.000 0.257 717 G HA3 0.646 4.595 3.960 -0.019 0.000 0.257 717 G C -0.351 174.540 174.900 -0.015 0.000 1.238 717 G CA -0.187 44.904 45.100 -0.014 0.000 0.838 717 G HN 0.497 nan 8.290 nan 0.000 0.547 718 I N 1.297 121.861 120.570 -0.011 0.000 2.499 718 I HA 0.529 4.688 4.170 -0.019 0.000 0.288 718 I C 0.398 176.512 176.117 -0.005 0.000 1.048 718 I CA -0.793 60.500 61.300 -0.012 0.000 1.062 718 I CB 2.063 40.056 38.000 -0.012 0.000 1.238 718 I HN 0.626 nan 8.210 nan 0.000 0.426 719 A N 7.148 129.964 122.820 -0.007 0.000 2.352 719 A HA 0.962 5.271 4.320 -0.019 0.000 0.299 719 A C -0.545 177.040 177.584 0.000 0.000 1.160 719 A CA -0.709 51.327 52.037 -0.002 0.000 0.933 719 A CB 1.425 20.423 19.000 -0.003 0.000 1.387 719 A HN 0.607 nan 8.150 nan 0.000 0.487 720 M N 0.129 119.732 119.600 0.004 0.000 2.528 720 M HA 0.324 4.793 4.480 -0.019 0.000 0.321 720 M C 1.368 177.670 176.300 0.004 0.000 1.153 720 M CA -0.262 55.042 55.300 0.006 0.000 0.951 720 M CB 0.813 33.421 32.600 0.013 0.000 1.705 720 M HN 0.910 nan 8.290 nan 0.000 0.451 721 G N 1.296 110.097 108.800 0.002 0.000 2.529 721 G HA2 -0.233 3.716 3.960 -0.019 0.000 0.219 721 G HA3 -0.233 3.716 3.960 -0.019 0.000 0.219 721 G C 1.271 176.174 174.900 0.004 0.000 1.177 721 G CA 1.658 46.759 45.100 0.001 0.000 0.773 721 G HN 0.775 nan 8.290 nan 0.000 0.573 722 S N 0.592 116.296 115.700 0.007 0.000 2.607 722 S HA 0.321 4.780 4.470 -0.019 0.000 0.224 722 S C 1.474 176.080 174.600 0.011 0.000 0.969 722 S CA 0.365 58.571 58.200 0.009 0.000 0.927 722 S CB -0.207 62.999 63.200 0.011 0.000 0.772 722 S HN 0.575 nan 8.310 nan 0.000 0.533 723 G N 1.889 110.696 108.800 0.011 0.000 2.716 723 G HA2 0.369 4.317 3.960 -0.019 0.000 0.251 723 G HA3 0.369 4.317 3.960 -0.019 0.000 0.251 723 G C 0.191 175.102 174.900 0.020 0.000 1.224 723 G CA 0.076 45.184 45.100 0.013 0.000 0.891 723 G HN 0.483 nan 8.290 nan 0.000 0.561 724 T N -2.356 112.212 114.554 0.024 0.000 2.860 724 T HA 0.430 4.769 4.350 -0.019 0.000 0.299 724 T C 1.727 176.458 174.700 0.052 0.000 1.045 724 T CA 0.603 62.729 62.100 0.043 0.000 1.071 724 T CB 1.111 70.004 68.868 0.041 0.000 0.985 724 T HN 0.991 nan 8.240 nan 0.000 0.537 725 A N 2.345 125.213 122.820 0.081 0.000 1.841 725 A HA -0.029 4.280 4.320 -0.019 0.000 0.216 725 A C 2.550 180.163 177.584 0.048 0.000 1.199 725 A CA 2.103 54.175 52.037 0.058 0.000 0.621 725 A CB -1.452 17.583 19.000 0.058 0.000 0.835 725 A HN 0.881 nan 8.150 nan 0.000 0.445 726 V N 0.114 120.078 119.914 0.083 0.000 2.324 726 V HA -0.311 3.798 4.120 -0.019 0.000 0.250 726 V C 3.047 179.159 176.094 0.030 0.000 1.060 726 V CA 2.165 64.501 62.300 0.060 0.000 1.042 726 V CB -1.547 30.334 31.823 0.098 0.000 0.650 726 V HN 0.663 nan 8.190 nan 0.000 0.450 727 A N -0.178 122.660 122.820 0.030 0.000 1.917 727 A HA -0.304 4.005 4.320 -0.019 0.000 0.219 727 A C 2.303 179.890 177.584 0.005 0.000 1.182 727 A CA 2.354 54.398 52.037 0.012 0.000 0.633 727 A CB -0.497 18.509 19.000 0.011 0.000 0.819 727 A HN 0.585 nan 8.150 nan 0.000 0.448 728 K N -0.804 119.599 120.400 0.006 0.000 2.009 728 K HA -0.144 4.165 4.320 -0.019 0.000 0.210 728 K C 2.308 178.903 176.600 -0.009 0.000 1.049 728 K CA 1.950 58.235 56.287 -0.003 0.000 0.929 728 K CB -0.578 31.920 32.500 -0.004 0.000 0.714 728 K HN 0.723 nan 8.250 nan 0.000 0.440 729 T N -0.726 113.823 114.554 -0.008 0.000 2.897 729 T HA -0.111 4.228 4.350 -0.019 0.000 0.271 729 T C 1.916 176.606 174.700 -0.016 0.000 1.084 729 T CA 1.207 63.297 62.100 -0.016 0.000 1.123 729 T CB -0.230 68.629 68.868 -0.016 0.000 0.865 729 T HN 0.198 nan 8.240 nan 0.000 0.496 730 A N 1.380 124.194 122.820 -0.011 0.000 2.067 730 A HA 0.329 4.638 4.320 -0.019 0.000 0.217 730 A C 1.746 179.321 177.584 -0.016 0.000 1.156 730 A CA 0.579 52.608 52.037 -0.013 0.000 0.683 730 A CB -0.408 18.586 19.000 -0.010 0.000 0.808 730 A HN 0.750 nan 8.150 nan 0.000 0.455 731 S N -0.440 115.250 115.700 -0.016 0.000 2.713 731 S HA 0.424 4.883 4.470 -0.019 0.000 0.283 731 S C 0.413 175.001 174.600 -0.021 0.000 1.161 731 S CA -0.120 58.070 58.200 -0.017 0.000 0.999 731 S CB 0.928 64.119 63.200 -0.015 0.000 1.039 731 S HN 0.369 nan 8.310 nan 0.000 0.548 732 E N -0.103 120.084 120.200 -0.022 0.000 2.473 732 E HA 0.270 4.608 4.350 -0.019 0.000 0.204 732 E C 0.069 176.653 176.600 -0.027 0.000 0.994 732 E CA 0.158 56.544 56.400 -0.024 0.000 0.945 732 E CB 0.257 29.943 29.700 -0.024 0.000 0.990 732 E HN 0.644 nan 8.360 nan 0.000 0.493 733 M N 1.117 120.701 119.600 -0.027 0.000 2.484 733 M HA 0.385 4.854 4.480 -0.019 0.000 0.289 733 M C -1.926 174.358 176.300 -0.027 0.000 1.206 733 M CA -0.818 54.464 55.300 -0.030 0.000 0.892 733 M CB 2.903 35.481 32.600 -0.037 0.000 1.712 733 M HN -0.245 nan 8.290 nan 0.000 0.462 734 V N 4.629 124.527 119.914 -0.027 0.000 2.577 734 V HA 0.437 4.546 4.120 -0.019 0.000 0.303 734 V C -0.623 175.456 176.094 -0.024 0.000 1.042 734 V CA -0.744 61.543 62.300 -0.022 0.000 0.872 734 V CB 2.051 33.863 31.823 -0.018 0.000 0.998 734 V HN 0.750 nan 8.190 nan 0.000 0.423 735 L N 4.053 125.263 121.223 -0.021 0.000 2.283 735 L HA 0.404 4.732 4.340 -0.019 0.000 0.287 735 L C 1.543 178.405 176.870 -0.013 0.000 1.073 735 L CA -0.222 54.604 54.840 -0.022 0.000 0.822 735 L CB 1.001 43.048 42.059 -0.019 0.000 1.186 735 L HN 0.821 nan 8.230 nan 0.000 0.436 736 A N 2.363 125.173 122.820 -0.016 0.000 2.121 736 A HA -0.147 4.162 4.320 -0.019 0.000 0.218 736 A C 1.460 179.040 177.584 -0.006 0.000 1.154 736 A CA 1.492 53.522 52.037 -0.011 0.000 0.679 736 A CB -0.313 18.678 19.000 -0.015 0.000 0.795 736 A HN 0.882 nan 8.150 nan 0.000 0.458 737 D N -3.197 117.200 120.400 -0.005 0.000 2.474 737 D HA 0.130 4.759 4.640 -0.019 0.000 0.213 737 D C -0.214 176.092 176.300 0.010 0.000 1.120 737 D CA 0.690 54.691 54.000 0.002 0.000 0.836 737 D CB -0.075 40.725 40.800 0.000 0.000 1.019 737 D HN 0.205 nan 8.370 nan 0.000 0.507 738 D N -0.537 119.869 120.400 0.010 0.000 2.911 738 D HA -0.204 4.425 4.640 -0.019 0.000 0.199 738 D C -0.182 176.141 176.300 0.039 0.000 1.041 738 D CA 0.823 54.836 54.000 0.022 0.000 1.013 738 D CB -2.233 38.583 40.800 0.025 0.000 1.093 738 D HN 0.434 nan 8.370 nan 0.000 0.431 739 N N -0.555 118.164 118.700 0.032 0.000 2.492 739 N HA 0.181 4.910 4.740 -0.019 0.000 0.262 739 N C 0.974 176.526 175.510 0.071 0.000 1.202 739 N CA -0.131 52.952 53.050 0.055 0.000 0.926 739 N CB 0.224 38.728 38.487 0.029 0.000 1.078 739 N HN 0.074 nan 8.380 nan 0.000 0.454 740 F N 2.829 122.771 119.950 -0.014 0.000 2.234 740 F HA -0.111 4.405 4.527 -0.018 0.000 0.299 740 F C 2.363 178.152 175.800 -0.018 0.000 1.087 740 F CA 1.418 59.408 58.000 -0.016 0.000 1.340 740 F CB -0.256 38.733 39.000 -0.019 0.000 1.031 740 F HN 0.580 nan 8.300 nan 0.000 0.500 741 S N -1.279 114.395 115.700 -0.044 0.000 2.474 741 S HA -0.149 4.310 4.470 -0.019 0.000 0.235 741 S C 1.790 176.276 174.600 -0.191 0.000 0.997 741 S CA 1.343 59.457 58.200 -0.143 0.000 0.949 741 S CB -1.179 62.027 63.200 0.011 0.000 0.766 741 S HN 0.420 nan 8.310 nan 0.000 0.517 742 T N 2.741 117.206 114.554 -0.147 0.000 2.833 742 T HA 0.115 4.453 4.350 -0.019 0.000 0.269 742 T C 1.599 176.195 174.700 -0.173 0.000 1.054 742 T CA 1.375 63.401 62.100 -0.123 0.000 1.135 742 T CB -0.428 68.395 68.868 -0.074 0.000 0.869 742 T HN 0.464 nan 8.240 nan 0.000 0.466 743 I N 0.692 121.096 120.570 -0.276 0.000 2.133 743 I HA -0.145 4.014 4.170 -0.019 0.000 0.238 743 I C 2.488 178.429 176.117 -0.293 0.000 1.074 743 I CA 0.880 62.002 61.300 -0.295 0.000 1.342 743 I CB -0.718 37.033 38.000 -0.414 0.000 1.053 743 I HN 0.044 nan 8.210 nan 0.000 0.404 744 V N 1.466 121.128 119.914 -0.420 0.000 2.278 744 V HA -0.388 3.721 4.120 -0.019 0.000 0.251 744 V C 2.777 178.776 176.094 -0.159 0.000 1.062 744 V CA 2.307 64.442 62.300 -0.275 0.000 1.038 744 V CB -1.282 30.390 31.823 -0.252 0.000 0.646 744 V HN 0.552 nan 8.190 nan 0.000 0.447 745 A N -0.061 122.674 122.820 -0.141 0.000 1.883 745 A HA -0.159 4.150 4.320 -0.019 0.000 0.217 745 A C 2.451 179.982 177.584 -0.087 0.000 1.186 745 A CA 2.391 54.371 52.037 -0.095 0.000 0.624 745 A CB -0.979 17.973 19.000 -0.081 0.000 0.822 745 A HN 0.651 nan 8.150 nan 0.000 0.444 746 A N -0.909 121.853 122.820 -0.097 0.000 1.978 746 A HA -0.053 4.255 4.320 -0.019 0.000 0.220 746 A C 2.305 179.845 177.584 -0.073 0.000 1.170 746 A CA 1.835 53.823 52.037 -0.081 0.000 0.636 746 A CB -0.997 17.953 19.000 -0.083 0.000 0.810 746 A HN 0.722 nan 8.150 nan 0.000 0.448 747 V N -0.129 119.734 119.914 -0.085 0.000 2.515 747 V HA -0.206 3.903 4.120 -0.019 0.000 0.250 747 V C 2.350 178.411 176.094 -0.055 0.000 1.058 747 V CA 2.554 64.811 62.300 -0.071 0.000 1.064 747 V CB -0.259 31.516 31.823 -0.081 0.000 0.675 747 V HN 0.800 nan 8.190 nan 0.000 0.461 748 E N -0.478 119.689 120.200 -0.055 0.000 2.072 748 E HA -0.262 4.077 4.350 -0.019 0.000 0.190 748 E C 2.123 178.703 176.600 -0.033 0.000 0.982 748 E CA 1.343 57.719 56.400 -0.040 0.000 0.803 748 E CB -0.065 29.610 29.700 -0.042 0.000 0.755 748 E HN 0.651 nan 8.360 nan 0.000 0.453 749 E N 0.083 120.257 120.200 -0.044 0.000 2.038 749 E HA -0.136 4.203 4.350 -0.019 0.000 0.195 749 E C 1.902 178.488 176.600 -0.025 0.000 1.000 749 E CA 1.702 58.076 56.400 -0.044 0.000 0.803 749 E CB -0.780 28.886 29.700 -0.058 0.000 0.750 749 E HN 0.372 nan 8.360 nan 0.000 0.448 750 G N 0.176 108.963 108.800 -0.023 0.000 2.450 750 G HA2 -0.311 3.637 3.960 -0.019 0.000 0.220 750 G HA3 -0.311 3.637 3.960 -0.019 0.000 0.220 750 G C 1.651 176.568 174.900 0.028 0.000 1.130 750 G CA 0.835 45.935 45.100 -0.001 0.000 0.760 750 G HN 0.173 nan 8.290 nan 0.000 0.557 751 R N 0.144 120.649 120.500 0.009 0.000 2.092 751 R HA 0.040 4.369 4.340 -0.019 0.000 0.231 751 R C 2.917 179.264 176.300 0.078 0.000 1.119 751 R CA 1.113 57.231 56.100 0.030 0.000 0.970 751 R CB -0.200 30.101 30.300 0.002 0.000 0.864 751 R HN 0.384 nan 8.270 nan 0.000 0.440 752 A N 0.679 123.524 122.820 0.041 0.000 1.975 752 A HA -0.025 4.284 4.320 -0.019 0.000 0.215 752 A C 1.900 179.509 177.584 0.042 0.000 1.170 752 A CA 0.595 52.651 52.037 0.032 0.000 0.656 752 A CB -0.015 18.980 19.000 -0.009 0.000 0.821 752 A HN 0.046 nan 8.150 nan 0.000 0.449 753 I N -1.266 119.332 120.570 0.047 0.000 2.353 753 I HA -0.172 3.987 4.170 -0.019 0.000 0.248 753 I C 2.279 178.459 176.117 0.105 0.000 1.119 753 I CA 1.236 62.569 61.300 0.056 0.000 1.417 753 I CB -1.465 36.558 38.000 0.039 0.000 1.078 753 I HN 0.614 nan 8.210 nan 0.000 0.421 754 Y N 1.885 122.187 120.300 0.002 0.000 2.286 754 Y HA -0.133 4.407 4.550 -0.017 0.000 0.293 754 Y C 2.400 178.292 175.900 -0.014 0.000 1.124 754 Y CA 1.398 59.493 58.100 -0.007 0.000 1.178 754 Y CB -0.160 38.289 38.460 -0.018 0.000 1.010 754 Y HN 0.112 nan 8.280 nan 0.000 0.536 755 N N 1.017 119.782 118.700 0.110 0.000 2.069 755 N HA -0.204 4.525 4.740 -0.019 0.000 0.191 755 N C 1.267 176.726 175.510 -0.085 0.000 1.031 755 N CA 1.649 54.702 53.050 0.006 0.000 0.852 755 N CB -0.549 37.986 38.487 0.081 0.000 1.018 755 N HN 0.424 nan 8.380 nan 0.000 0.423 756 N N 0.410 119.100 118.700 -0.016 0.000 2.309 756 N HA 0.010 4.739 4.740 -0.019 0.000 0.182 756 N C 1.745 177.289 175.510 0.057 0.000 1.018 756 N CA 0.518 53.592 53.050 0.039 0.000 0.876 756 N CB -0.134 38.406 38.487 0.089 0.000 0.972 756 N HN 0.324 nan 8.380 nan 0.000 0.434 757 M N 0.335 119.894 119.600 -0.068 0.000 2.099 757 M HA -0.122 4.347 4.480 -0.019 0.000 0.262 757 M C 2.034 177.920 176.300 -0.690 0.000 1.067 757 M CA 1.193 56.299 55.300 -0.323 0.000 1.124 757 M CB -0.185 32.264 32.600 -0.251 0.000 1.353 757 M HN 0.050 nan 8.290 nan 0.000 0.410 758 K N -0.082 119.948 120.400 -0.616 0.000 2.218 758 K HA -0.268 4.041 4.320 -0.019 0.000 0.205 758 K C 1.951 178.336 176.600 -0.359 0.000 1.046 758 K CA 1.536 57.504 56.287 -0.531 0.000 0.933 758 K CB 0.119 32.336 32.500 -0.471 0.000 0.728 758 K HN 0.152 nan 8.250 nan 0.000 0.454 759 Q N 0.209 119.852 119.800 -0.261 0.000 1.922 759 Q HA -0.108 4.221 4.340 -0.019 0.000 0.201 759 Q C 1.902 177.834 176.000 -0.113 0.000 0.979 759 Q CA 2.007 57.740 55.803 -0.117 0.000 0.841 759 Q CB -0.599 28.129 28.738 -0.017 0.000 0.903 759 Q HN 0.443 nan 8.270 nan 0.000 0.431 760 F N -0.702 119.210 119.950 -0.063 0.000 2.307 760 F HA -0.046 4.468 4.527 -0.021 0.000 0.301 760 F C 1.635 177.429 175.800 -0.011 0.000 1.076 760 F CA 0.735 58.733 58.000 -0.004 0.000 1.383 760 F CB -0.579 38.405 39.000 -0.026 0.000 1.055 760 F HN 0.078 nan 8.300 nan 0.000 0.526 761 I N 0.614 120.699 120.570 -0.807 0.000 2.252 761 I HA -0.211 3.948 4.170 -0.019 0.000 0.245 761 I C 2.591 178.475 176.117 -0.388 0.000 1.102 761 I CA 1.305 62.227 61.300 -0.630 0.000 1.385 761 I CB -0.389 37.188 38.000 -0.704 0.000 1.064 761 I HN 0.121 nan 8.210 nan 0.000 0.414 762 R N -0.574 119.718 120.500 -0.348 0.000 2.115 762 R HA -0.168 4.161 4.340 -0.019 0.000 0.226 762 R C 2.301 178.355 176.300 -0.410 0.000 1.100 762 R CA 1.194 57.049 56.100 -0.407 0.000 0.980 762 R CB -0.490 29.581 30.300 -0.382 0.000 0.875 762 R HN 0.319 nan 8.270 nan 0.000 0.445 763 Y N 1.926 122.040 120.300 -0.311 0.000 2.036 763 Y HA -0.247 4.288 4.550 -0.026 0.000 0.273 763 Y C 1.902 177.702 175.900 -0.167 0.000 1.135 763 Y CA 1.627 59.605 58.100 -0.202 0.000 1.106 763 Y CB -0.603 37.819 38.460 -0.064 0.000 0.976 763 Y HN -0.100 nan 8.280 nan 0.000 0.483 764 L N -0.061 121.017 121.223 -0.243 0.000 2.129 764 L HA -0.274 4.054 4.340 -0.019 0.000 0.212 764 L C 2.473 179.183 176.870 -0.267 0.000 1.087 764 L CA 1.587 56.247 54.840 -0.300 0.000 0.757 764 L CB -0.573 41.460 42.059 -0.043 0.000 0.896 764 L HN 0.394 nan 8.230 nan 0.000 0.434 765 I N -1.515 118.900 120.570 -0.258 0.000 2.333 765 I HA -0.236 3.923 4.170 -0.019 0.000 0.246 765 I C 2.781 178.753 176.117 -0.241 0.000 1.106 765 I CA 0.939 62.116 61.300 -0.205 0.000 1.411 765 I CB -0.248 37.614 38.000 -0.231 0.000 1.082 765 I HN 0.173 nan 8.210 nan 0.000 0.420 766 S N 0.717 116.197 115.700 -0.367 0.000 2.380 766 S HA -0.236 4.223 4.470 -0.019 0.000 0.229 766 S C 2.223 176.698 174.600 -0.207 0.000 1.043 766 S CA 2.322 60.324 58.200 -0.331 0.000 1.038 766 S CB -0.228 62.736 63.200 -0.392 0.000 0.872 766 S HN 0.481 nan 8.310 nan 0.000 0.456 767 S N 1.830 117.374 115.700 -0.261 0.000 2.348 767 S HA -0.120 4.338 4.470 -0.019 0.000 0.221 767 S C 1.651 176.179 174.600 -0.119 0.000 1.033 767 S CA 1.629 59.710 58.200 -0.198 0.000 1.010 767 S CB -0.944 62.093 63.200 -0.272 0.000 0.891 767 S HN 0.738 nan 8.310 nan 0.000 0.442 768 N N 0.913 119.544 118.700 -0.115 0.000 2.149 768 N HA -0.086 4.642 4.740 -0.019 0.000 0.188 768 N C 1.544 177.024 175.510 -0.049 0.000 1.019 768 N CA 1.160 54.172 53.050 -0.063 0.000 0.857 768 N CB -0.299 38.166 38.487 -0.037 0.000 0.997 768 N HN 0.130 nan 8.380 nan 0.000 0.426 769 V N 0.402 120.280 119.914 -0.060 0.000 2.515 769 V HA -0.109 4.000 4.120 -0.019 0.000 0.250 769 V C 2.290 178.369 176.094 -0.024 0.000 1.058 769 V CA 1.915 64.186 62.300 -0.048 0.000 1.064 769 V CB -0.844 30.942 31.823 -0.063 0.000 0.675 769 V HN 0.443 nan 8.190 nan 0.000 0.461 770 G N -0.460 108.326 108.800 -0.024 0.000 2.394 770 G HA2 -0.166 3.783 3.960 -0.019 0.000 0.215 770 G HA3 -0.166 3.783 3.960 -0.019 0.000 0.215 770 G C 1.407 176.309 174.900 0.003 0.000 1.165 770 G CA 0.570 45.670 45.100 0.000 0.000 0.784 770 G HN 0.556 nan 8.290 nan 0.000 0.535 771 E N 0.073 120.267 120.200 -0.011 0.000 2.160 771 E HA -0.090 4.249 4.350 -0.019 0.000 0.195 771 E C 2.633 179.243 176.600 0.016 0.000 0.991 771 E CA 0.882 57.282 56.400 0.000 0.000 0.810 771 E CB -0.064 29.630 29.700 -0.010 0.000 0.742 771 E HN 0.320 nan 8.360 nan 0.000 0.466 772 V N 0.681 120.601 119.914 0.011 0.000 2.255 772 V HA -0.193 3.916 4.120 -0.019 0.000 0.243 772 V C 2.279 178.418 176.094 0.075 0.000 1.038 772 V CA 1.196 63.511 62.300 0.024 0.000 1.008 772 V CB -0.269 31.544 31.823 -0.016 0.000 0.645 772 V HN 0.121 nan 8.190 nan 0.000 0.449 773 V N -0.217 119.736 119.914 0.065 0.000 2.660 773 V HA -0.325 3.783 4.120 -0.019 0.000 0.257 773 V C 2.531 178.711 176.094 0.143 0.000 1.088 773 V CA 2.099 64.477 62.300 0.129 0.000 1.106 773 V CB -0.890 30.985 31.823 0.087 0.000 0.686 773 V HN 0.837 nan 8.190 nan 0.000 0.481 774 C N 0.199 119.549 119.300 0.084 0.000 2.489 774 C HA -0.066 4.383 4.460 -0.019 0.000 0.279 774 C C 2.414 177.445 174.990 0.069 0.000 1.266 774 C CA 0.559 59.612 59.018 0.058 0.000 1.707 774 C CB -0.798 26.960 27.740 0.030 0.000 2.059 774 C HN 0.511 nan 8.230 nan 0.000 0.481 775 I N 0.765 121.384 120.570 0.081 0.000 3.001 775 I HA 0.024 4.183 4.170 -0.019 0.000 0.268 775 I C 2.043 178.235 176.117 0.125 0.000 1.267 775 I CA 1.073 62.420 61.300 0.077 0.000 1.472 775 I CB -1.674 36.362 38.000 0.061 0.000 1.089 775 I HN 0.366 nan 8.210 nan 0.000 0.468 776 F N 1.267 121.218 119.950 0.003 0.000 2.416 776 F HA 0.006 4.520 4.527 -0.022 0.000 0.296 776 F C 2.114 177.928 175.800 0.022 0.000 1.099 776 F CA 1.085 59.092 58.000 0.012 0.000 1.427 776 F CB 0.013 39.023 39.000 0.016 0.000 1.079 776 F HN -0.102 nan 8.300 nan 0.000 0.536 777 L N -1.145 120.070 121.223 -0.012 0.000 2.068 777 L HA -0.132 4.196 4.340 -0.019 0.000 0.204 777 L C 2.290 179.108 176.870 -0.087 0.000 1.076 777 L CA 1.628 56.414 54.840 -0.090 0.000 0.753 777 L CB -1.226 40.829 42.059 -0.007 0.000 0.910 777 L HN -0.001 nan 8.230 nan 0.000 0.439 778 T N -0.728 113.805 114.554 -0.035 0.000 3.139 778 T HA 0.008 4.347 4.350 -0.019 0.000 0.267 778 T C 1.296 175.980 174.700 -0.027 0.000 1.164 778 T CA 1.060 63.144 62.100 -0.025 0.000 1.075 778 T CB 0.074 68.939 68.868 -0.005 0.000 0.904 778 T HN 0.438 nan 8.240 nan 0.000 0.540 779 A N -0.475 122.307 122.820 -0.063 0.000 1.997 779 A HA 0.715 5.023 4.320 -0.019 0.000 0.198 779 A C 2.369 179.887 177.584 -0.110 0.000 1.449 779 A CA 0.750 52.758 52.037 -0.049 0.000 0.908 779 A CB -0.726 18.258 19.000 -0.027 0.000 0.984 779 A HN 0.436 nan 8.150 nan 0.000 0.487 780 A N -0.065 122.588 122.820 -0.279 0.000 1.968 780 A HA 0.157 4.465 4.320 -0.019 0.000 0.217 780 A C 1.775 179.263 177.584 -0.160 0.000 1.169 780 A CA 1.277 53.119 52.037 -0.325 0.000 0.638 780 A CB -0.427 18.176 19.000 -0.662 0.000 0.812 780 A HN 0.409 nan 8.150 nan 0.000 0.446 781 L N -1.438 119.713 121.223 -0.119 0.000 2.640 781 L HA 0.245 4.574 4.340 -0.019 0.000 0.230 781 L C 1.559 178.415 176.870 -0.023 0.000 1.123 781 L CA 0.435 55.245 54.840 -0.051 0.000 0.900 781 L CB -0.110 41.930 42.059 -0.031 0.000 1.146 781 L HN 0.542 nan 8.230 nan 0.000 0.484 782 G N 0.968 109.751 108.800 -0.028 0.000 2.168 782 G HA2 -0.281 3.668 3.960 -0.019 0.000 0.257 782 G HA3 -0.281 3.668 3.960 -0.019 0.000 0.257 782 G C 0.416 175.314 174.900 -0.003 0.000 0.997 782 G CA 0.253 45.350 45.100 -0.005 0.000 0.708 782 G HN 0.257 nan 8.290 nan 0.000 0.520 783 L N 0.090 121.303 121.223 -0.016 0.000 2.464 783 L HA 0.399 4.728 4.340 -0.019 0.000 0.224 783 L C -1.558 175.291 176.870 -0.034 0.000 1.219 783 L CA -1.864 52.952 54.840 -0.039 0.000 0.831 783 L CB -0.078 41.941 42.059 -0.068 0.000 1.284 783 L HN -0.044 nan 8.230 nan 0.000 0.522 784 P HA 0.083 nan 4.420 nan 0.000 0.287 784 P C -1.091 176.189 177.300 -0.034 0.000 1.281 784 P CA -0.612 62.466 63.100 -0.036 0.000 0.781 784 P CB 0.544 32.199 31.700 -0.074 0.000 0.903 785 E N 3.393 123.600 120.200 0.010 0.000 2.752 785 E HA -0.098 4.241 4.350 -0.019 0.000 0.241 785 E C 0.584 177.191 176.600 0.012 0.000 1.016 785 E CA 0.218 56.629 56.400 0.018 0.000 0.952 785 E CB 0.181 29.904 29.700 0.039 0.000 0.921 785 E HN 0.470 nan 8.360 nan 0.000 0.515 786 A N 4.810 127.633 122.820 0.005 0.000 2.019 786 A HA 0.015 4.323 4.320 -0.019 0.000 0.219 786 A C 1.087 178.683 177.584 0.020 0.000 1.164 786 A CA 0.734 52.775 52.037 0.007 0.000 0.644 786 A CB 0.043 19.048 19.000 0.008 0.000 0.805 786 A HN 0.615 nan 8.150 nan 0.000 0.449 787 L N -0.354 120.887 121.223 0.030 0.000 2.431 787 L HA 0.576 4.904 4.340 -0.019 0.000 0.266 787 L C -0.499 176.404 176.870 0.056 0.000 0.978 787 L CA -0.779 54.087 54.840 0.043 0.000 0.822 787 L CB 2.194 44.277 42.059 0.040 0.000 1.310 787 L HN 0.442 nan 8.230 nan 0.000 0.409 788 I N -0.110 120.504 120.570 0.074 0.000 2.863 788 I HA 0.602 4.761 4.170 -0.019 0.000 0.311 788 I C -2.061 174.117 176.117 0.101 0.000 1.026 788 I CA -2.078 59.273 61.300 0.085 0.000 1.077 788 I CB 2.005 40.061 38.000 0.093 0.000 1.262 788 I HN 0.301 nan 8.210 nan 0.000 0.461 789 P HA -0.226 nan 4.420 nan 0.000 0.214 789 P C 1.757 179.142 177.300 0.142 0.000 1.164 789 P CA 1.717 64.881 63.100 0.106 0.000 0.942 789 P CB -0.170 31.591 31.700 0.101 0.000 0.791 790 V N -0.650 119.357 119.914 0.155 0.000 2.636 790 V HA -0.299 3.810 4.120 -0.019 0.000 0.258 790 V C 2.394 178.684 176.094 0.327 0.000 1.092 790 V CA 1.988 64.406 62.300 0.197 0.000 1.110 790 V CB -1.510 30.390 31.823 0.129 0.000 0.685 790 V HN 0.264 nan 8.190 nan 0.000 0.481 791 Q N -0.295 119.675 119.800 0.283 0.000 2.061 791 Q HA 0.003 4.331 4.340 -0.019 0.000 0.195 791 Q C 2.312 178.458 176.000 0.242 0.000 0.967 791 Q CA 1.155 57.127 55.803 0.282 0.000 0.829 791 Q CB -0.274 28.566 28.738 0.169 0.000 0.900 791 Q HN 0.500 nan 8.270 nan 0.000 0.450 792 L N 0.735 122.058 121.223 0.167 0.000 2.043 792 L HA -0.239 4.090 4.340 -0.019 0.000 0.212 792 L C 2.387 179.339 176.870 0.135 0.000 1.075 792 L CA 1.109 56.020 54.840 0.119 0.000 0.752 792 L CB -0.697 41.410 42.059 0.080 0.000 0.891 792 L HN 0.241 nan 8.230 nan 0.000 0.432 793 L N -1.121 120.205 121.223 0.172 0.000 2.013 793 L HA -0.298 4.031 4.340 -0.019 0.000 0.212 793 L C 2.545 179.537 176.870 0.203 0.000 1.073 793 L CA 1.713 56.653 54.840 0.167 0.000 0.753 793 L CB -0.743 41.428 42.059 0.188 0.000 0.890 793 L HN 0.539 nan 8.230 nan 0.000 0.432 794 W N 0.391 121.764 121.300 0.123 0.000 2.363 794 W HA -0.162 4.485 4.660 -0.022 0.000 0.296 794 W C 2.111 178.645 176.519 0.025 0.000 1.212 794 W CA 1.605 59.016 57.345 0.111 0.000 1.260 794 W CB -0.026 29.531 29.460 0.162 0.000 1.131 794 W HN -0.039 nan 8.180 nan 0.000 0.530 795 V N 1.807 121.792 119.914 0.119 0.000 2.358 795 V HA -0.325 3.784 4.120 -0.019 0.000 0.246 795 V C 2.091 178.129 176.094 -0.092 0.000 1.047 795 V CA 2.177 64.467 62.300 -0.017 0.000 1.035 795 V CB -0.917 30.918 31.823 0.020 0.000 0.658 795 V HN 0.129 nan 8.190 nan 0.000 0.452 796 N N -0.262 118.407 118.700 -0.052 0.000 2.300 796 N HA -0.002 4.727 4.740 -0.019 0.000 0.179 796 N C 1.557 177.018 175.510 -0.083 0.000 1.016 796 N CA 0.864 53.876 53.050 -0.064 0.000 0.876 796 N CB -0.092 38.377 38.487 -0.030 0.000 0.979 796 N HN 0.309 nan 8.380 nan 0.000 0.432 797 L N -0.280 120.879 121.223 -0.107 0.000 2.127 797 L HA 0.057 4.386 4.340 -0.019 0.000 0.203 797 L C 1.898 178.621 176.870 -0.246 0.000 1.080 797 L CA 0.767 55.525 54.840 -0.137 0.000 0.768 797 L CB 0.064 42.064 42.059 -0.098 0.000 0.924 797 L HN -0.084 nan 8.230 nan 0.000 0.444 798 V N -3.259 116.392 119.914 -0.438 0.000 2.854 798 V HA -0.008 4.100 4.120 -0.019 0.000 0.236 798 V C 2.135 177.962 176.094 -0.444 0.000 1.157 798 V CA 1.131 63.077 62.300 -0.591 0.000 1.187 798 V CB -0.218 30.862 31.823 -1.237 0.000 0.949 798 V HN 0.229 nan 8.190 nan 0.000 0.488 799 T N 0.897 115.175 114.554 -0.460 0.000 2.652 799 T HA -0.199 4.140 4.350 -0.019 0.000 0.267 799 T C 1.424 176.064 174.700 -0.100 0.000 1.039 799 T CA 2.213 64.181 62.100 -0.221 0.000 1.153 799 T CB -0.318 68.471 68.868 -0.131 0.000 0.863 799 T HN 0.434 nan 8.240 nan 0.000 0.428 800 D N 0.181 120.538 120.400 -0.071 0.000 2.333 800 D HA 0.158 4.787 4.640 -0.019 0.000 0.208 800 D C 2.206 178.556 176.300 0.082 0.000 0.984 800 D CA 0.463 54.504 54.000 0.068 0.000 0.873 800 D CB -0.676 40.097 40.800 -0.045 0.000 0.935 800 D HN 0.435 nan 8.370 nan 0.000 0.521 801 G N 1.193 109.960 108.800 -0.055 0.000 2.446 801 G HA2 -0.199 3.750 3.960 -0.019 0.000 0.217 801 G HA3 -0.199 3.750 3.960 -0.019 0.000 0.217 801 G C 1.458 176.301 174.900 -0.095 0.000 1.168 801 G CA 0.346 45.397 45.100 -0.082 0.000 0.771 801 G HN 0.166 nan 8.290 nan 0.000 0.551 802 L N 1.219 122.375 121.223 -0.111 0.000 2.072 802 L HA 0.033 4.361 4.340 -0.019 0.000 0.205 802 L C 0.232 177.027 176.870 -0.125 0.000 1.079 802 L CA 1.510 56.277 54.840 -0.120 0.000 0.752 802 L CB -2.054 39.935 42.059 -0.117 0.000 0.906 802 L HN 0.166 nan 8.230 nan 0.000 0.436 803 P HA -0.089 nan 4.420 nan 0.000 0.216 803 P C 1.677 178.840 177.300 -0.229 0.000 1.153 803 P CA 1.703 64.709 63.100 -0.156 0.000 0.848 803 P CB 0.045 31.666 31.700 -0.132 0.000 0.787 804 A N -0.911 121.834 122.820 -0.125 0.000 1.933 804 A HA -0.174 4.135 4.320 -0.019 0.000 0.218 804 A C 2.247 179.646 177.584 -0.308 0.000 1.175 804 A CA 2.365 54.343 52.037 -0.099 0.000 0.628 804 A CB -1.884 17.215 19.000 0.166 0.000 0.814 804 A HN 0.154 nan 8.150 nan 0.000 0.444 805 T N 0.090 114.464 114.554 -0.300 0.000 2.777 805 T HA 0.055 4.394 4.350 -0.019 0.000 0.266 805 T C 2.149 176.673 174.700 -0.294 0.000 1.040 805 T CA 1.345 63.239 62.100 -0.345 0.000 1.141 805 T CB -0.366 68.352 68.868 -0.250 0.000 0.868 805 T HN 0.572 nan 8.240 nan 0.000 0.444 806 A N 0.902 123.563 122.820 -0.266 0.000 2.121 806 A HA 0.133 4.442 4.320 -0.019 0.000 0.218 806 A C 2.034 179.540 177.584 -0.130 0.000 1.154 806 A CA 0.807 52.685 52.037 -0.264 0.000 0.679 806 A CB -0.739 18.166 19.000 -0.158 0.000 0.795 806 A HN 0.493 nan 8.150 nan 0.000 0.458 807 L N -0.848 120.301 121.223 -0.123 0.000 2.610 807 L HA 0.005 4.334 4.340 -0.019 0.000 0.232 807 L C 2.197 179.110 176.870 0.072 0.000 1.149 807 L CA 0.455 55.273 54.840 -0.037 0.000 0.872 807 L CB -0.056 41.967 42.059 -0.060 0.000 0.992 807 L HN 0.477 nan 8.230 nan 0.000 0.447 808 G N -1.442 107.418 108.800 0.100 0.000 3.042 808 G HA2 -0.022 3.927 3.960 -0.019 0.000 0.212 808 G HA3 -0.022 3.927 3.960 -0.019 0.000 0.212 808 G C 0.848 175.975 174.900 0.378 0.000 1.166 808 G CA -0.141 45.092 45.100 0.222 0.000 0.767 808 G HN 0.347 nan 8.290 nan 0.000 0.546 809 F N 0.683 120.576 119.950 -0.097 0.000 2.791 809 F HA 0.303 4.819 4.527 -0.018 0.000 0.308 809 F C 0.236 175.984 175.800 -0.086 0.000 1.138 809 F CA -1.203 56.719 58.000 -0.130 0.000 1.294 809 F CB 0.347 39.214 39.000 -0.221 0.000 0.975 809 F HN -0.127 nan 8.300 nan 0.000 0.512 810 N N 3.130 121.895 118.700 0.107 0.000 2.479 810 N HA 0.089 4.818 4.740 -0.019 0.000 0.257 810 N C -2.426 173.093 175.510 0.015 0.000 1.232 810 N CA -1.389 51.692 53.050 0.051 0.000 0.920 810 N CB 0.032 38.540 38.487 0.036 0.000 1.105 810 N HN -0.021 nan 8.380 nan 0.000 0.444 811 P HA 0.179 nan 4.420 nan 0.000 0.276 811 P C -2.426 174.869 177.300 -0.008 0.000 1.243 811 P CA -0.923 62.173 63.100 -0.007 0.000 0.768 811 P CB -0.046 31.652 31.700 -0.003 0.000 0.856 812 P HA 0.176 nan 4.420 nan 0.000 0.275 812 P C -0.377 176.920 177.300 -0.005 0.000 1.228 812 P CA -0.104 62.991 63.100 -0.009 0.000 0.786 812 P CB 0.630 32.319 31.700 -0.018 0.000 0.927 813 D N 0.892 121.293 120.400 0.002 0.000 2.443 813 D HA -0.021 4.608 4.640 -0.019 0.000 0.234 813 D C 1.332 177.632 176.300 0.000 0.000 1.172 813 D CA 0.179 54.181 54.000 0.003 0.000 0.878 813 D CB 0.380 41.186 40.800 0.010 0.000 1.204 813 D HN 0.297 nan 8.370 nan 0.000 0.453 814 L N 0.918 122.141 121.223 0.000 0.000 2.591 814 L HA 0.031 4.359 4.340 -0.019 0.000 0.228 814 L C 1.083 177.953 176.870 0.001 0.000 1.133 814 L CA 0.418 55.258 54.840 -0.001 0.000 0.880 814 L CB -0.204 41.856 42.059 0.000 0.000 1.033 814 L HN 0.401 nan 8.230 nan 0.000 0.450 815 D N -0.920 119.482 120.400 0.003 0.000 2.501 815 D HA -0.033 4.596 4.640 -0.019 0.000 0.224 815 D C 1.685 177.988 176.300 0.005 0.000 1.202 815 D CA -0.217 53.785 54.000 0.004 0.000 0.829 815 D CB 0.265 41.068 40.800 0.005 0.000 1.023 815 D HN 0.047 nan 8.370 nan 0.000 0.499 816 I N 0.436 121.009 120.570 0.004 0.000 2.335 816 I HA -0.145 4.014 4.170 -0.019 0.000 0.251 816 I C 1.205 177.323 176.117 0.003 0.000 1.129 816 I CA 1.102 62.406 61.300 0.007 0.000 1.402 816 I CB -0.008 37.995 38.000 0.004 0.000 1.069 816 I HN 0.070 nan 8.210 nan 0.000 0.424 817 M N -1.058 118.541 119.600 -0.002 0.000 2.383 817 M HA 0.102 4.571 4.480 -0.019 0.000 0.247 817 M C 0.651 176.949 176.300 -0.002 0.000 1.117 817 M CA 0.419 55.716 55.300 -0.005 0.000 0.995 817 M CB -0.436 32.159 32.600 -0.009 0.000 1.480 817 M HN 0.038 nan 8.290 nan 0.000 0.485 818 D N 1.490 121.890 120.400 0.000 0.000 2.368 818 D HA 0.104 4.733 4.640 -0.019 0.000 0.218 818 D C 0.265 176.566 176.300 0.002 0.000 1.112 818 D CA 0.146 54.147 54.000 0.001 0.000 0.834 818 D CB 0.714 41.514 40.800 0.001 0.000 0.953 818 D HN 0.363 nan 8.370 nan 0.000 0.505 819 R N 0.272 120.773 120.500 0.002 0.000 2.670 819 R HA 0.534 4.863 4.340 -0.019 0.000 0.289 819 R C -2.893 173.407 176.300 -0.000 0.000 0.965 819 R CA -1.667 54.435 56.100 0.004 0.000 0.899 819 R CB 0.631 30.936 30.300 0.009 0.000 1.173 819 R HN -0.307 nan 8.270 nan 0.000 0.456 820 P HA 0.048 nan 4.420 nan 0.000 0.269 820 P C -2.336 174.958 177.300 -0.010 0.000 1.211 820 P CA -0.886 62.212 63.100 -0.004 0.000 0.781 820 P CB -0.390 31.309 31.700 -0.001 0.000 0.877 821 P HA 0.066 nan 4.420 nan 0.000 0.268 821 P C 0.160 177.436 177.300 -0.039 0.000 1.205 821 P CA 0.132 63.212 63.100 -0.033 0.000 0.771 821 P CB 0.238 31.920 31.700 -0.030 0.000 0.858 822 R N 3.107 123.565 120.500 -0.070 0.000 2.442 822 R HA 0.171 4.500 4.340 -0.019 0.000 0.291 822 R C 0.002 176.252 176.300 -0.083 0.000 1.069 822 R CA 0.263 56.316 56.100 -0.078 0.000 1.022 822 R CB 0.018 30.237 30.300 -0.134 0.000 0.976 822 R HN 0.452 nan 8.270 nan 0.000 0.443 823 S N 4.162 119.839 115.700 -0.039 0.000 2.579 823 S HA 0.192 4.651 4.470 -0.019 0.000 0.275 823 S C -1.651 172.928 174.600 -0.036 0.000 1.345 823 S CA -1.229 56.957 58.200 -0.024 0.000 1.031 823 S CB 0.745 63.947 63.200 0.004 0.000 0.892 823 S HN 0.607 nan 8.310 nan 0.000 0.529 824 P HA 0.110 nan 4.420 nan 0.000 0.245 824 P C 0.286 177.593 177.300 0.012 0.000 1.206 824 P CA 0.490 63.580 63.100 -0.017 0.000 0.781 824 P CB -0.021 31.673 31.700 -0.011 0.000 0.994 825 K N -0.855 119.557 120.400 0.019 0.000 2.404 825 K HA 0.121 4.430 4.320 -0.019 0.000 0.194 825 K C 0.519 177.145 176.600 0.044 0.000 1.023 825 K CA 0.180 56.486 56.287 0.032 0.000 1.094 825 K CB -0.482 32.037 32.500 0.030 0.000 0.841 825 K HN 0.001 nan 8.250 nan 0.000 0.523 826 E N 2.979 123.206 120.200 0.046 0.000 2.351 826 E HA 0.081 4.420 4.350 -0.019 0.000 0.266 826 E C -2.131 174.520 176.600 0.086 0.000 1.031 826 E CA -1.892 54.548 56.400 0.067 0.000 0.911 826 E CB 0.479 30.224 29.700 0.074 0.000 0.986 826 E HN 0.228 nan 8.360 nan 0.000 0.446 827 P HA 0.101 nan 4.420 nan 0.000 0.290 827 P C 0.079 177.437 177.300 0.097 0.000 1.276 827 P CA -0.360 62.798 63.100 0.097 0.000 0.808 827 P CB 0.895 32.660 31.700 0.110 0.000 0.966 828 L N 2.283 123.546 121.223 0.067 0.000 2.291 828 L HA 0.064 4.393 4.340 -0.019 0.000 0.214 828 L C 0.971 177.870 176.870 0.047 0.000 1.120 828 L CA 1.422 56.274 54.840 0.021 0.000 0.799 828 L CB -0.512 41.498 42.059 -0.082 0.000 0.925 828 L HN 0.394 nan 8.230 nan 0.000 0.446 829 I N -0.259 120.368 120.570 0.096 0.000 2.468 829 I HA 0.378 4.537 4.170 -0.019 0.000 0.284 829 I C -0.590 175.683 176.117 0.260 0.000 1.038 829 I CA -0.269 61.123 61.300 0.154 0.000 1.083 829 I CB 1.380 39.432 38.000 0.088 0.000 1.223 829 I HN 0.035 nan 8.210 nan 0.000 0.443 830 S N 3.605 119.459 115.700 0.257 0.000 2.565 830 S HA 0.875 5.334 4.470 -0.019 0.000 0.274 830 S C -0.186 174.554 174.600 0.234 0.000 1.144 830 S CA -0.110 58.249 58.200 0.264 0.000 0.849 830 S CB 1.803 65.109 63.200 0.177 0.000 1.103 830 S HN 1.298 nan 8.310 nan 0.000 0.455 831 G N 2.437 111.365 108.800 0.214 0.000 2.514 831 G HA2 -0.334 3.615 3.960 -0.019 0.000 0.265 831 G HA3 -0.334 3.615 3.960 -0.019 0.000 0.265 831 G C 0.723 175.811 174.900 0.314 0.000 1.150 831 G CA 0.300 45.533 45.100 0.221 0.000 0.959 831 G HN 1.376 nan 8.290 nan 0.000 0.556 832 W N 0.155 121.531 121.300 0.127 0.000 2.465 832 W HA 0.091 4.739 4.660 -0.021 0.000 0.268 832 W C 2.183 178.776 176.519 0.124 0.000 1.242 832 W CA 1.533 58.968 57.345 0.150 0.000 1.248 832 W CB -0.089 29.430 29.460 0.100 0.000 1.118 832 W HN 0.396 nan 8.180 nan 0.000 0.587 833 L N 0.244 121.541 121.223 0.122 0.000 2.376 833 L HA -0.091 4.238 4.340 -0.019 0.000 0.219 833 L C 1.979 178.828 176.870 -0.036 0.000 1.133 833 L CA 1.446 56.249 54.840 -0.061 0.000 0.816 833 L CB -1.161 40.943 42.059 0.075 0.000 0.933 833 L HN -0.109 nan 8.230 nan 0.000 0.449 834 F N -1.486 118.459 119.950 -0.009 0.000 2.187 834 F HA -0.134 4.383 4.527 -0.017 0.000 0.295 834 F C 2.158 177.959 175.800 0.002 0.000 1.091 834 F CA 1.222 59.251 58.000 0.048 0.000 1.308 834 F CB -0.288 38.761 39.000 0.082 0.000 1.030 834 F HN 0.113 nan 8.300 nan 0.000 0.487 835 F N 0.982 120.919 119.950 -0.022 0.000 2.558 835 F HA -0.051 4.474 4.527 -0.004 0.000 0.298 835 F C 2.417 177.923 175.800 -0.491 0.000 1.119 835 F CA 0.797 58.650 58.000 -0.245 0.000 1.451 835 F CB -0.193 38.568 39.000 -0.398 0.000 1.091 835 F HN -0.057 nan 8.300 nan 0.000 0.563 836 R N -0.996 119.061 120.500 -0.738 0.000 2.161 836 R HA -0.118 4.211 4.340 -0.019 0.000 0.213 836 R C 0.762 176.679 176.300 -0.639 0.000 1.055 836 R CA 1.559 57.145 56.100 -0.857 0.000 0.996 836 R CB -0.746 29.025 30.300 -0.882 0.000 0.901 836 R HN 0.285 nan 8.270 nan 0.000 0.456 837 Y N 0.479 120.610 120.300 -0.282 0.000 2.457 837 Y HA 0.207 4.741 4.550 -0.025 0.000 0.263 837 Y C 1.535 177.305 175.900 -0.216 0.000 1.164 837 Y CA -0.029 57.932 58.100 -0.231 0.000 1.274 837 Y CB 0.380 38.706 38.460 -0.224 0.000 1.097 837 Y HN 0.233 nan 8.280 nan 0.000 0.523 838 M N -2.137 117.407 119.600 -0.092 0.000 2.465 838 M HA 0.447 4.916 4.480 -0.019 0.000 0.249 838 M C 1.670 177.935 176.300 -0.058 0.000 1.130 838 M CA 1.201 56.488 55.300 -0.022 0.000 1.067 838 M CB -0.129 32.550 32.600 0.133 0.000 1.394 838 M HN -0.061 nan 8.290 nan 0.000 0.483 839 A N 1.266 123.951 122.820 -0.225 0.000 1.861 839 A HA 0.167 4.476 4.320 -0.019 0.000 0.212 839 A C 2.057 179.596 177.584 -0.075 0.000 1.199 839 A CA 0.971 52.872 52.037 -0.226 0.000 0.613 839 A CB -0.562 18.144 19.000 -0.491 0.000 0.846 839 A HN 0.457 nan 8.150 nan 0.000 0.446 840 I N 0.605 121.123 120.570 -0.087 0.000 2.335 840 I HA -0.202 3.956 4.170 -0.019 0.000 0.251 840 I C 2.530 178.693 176.117 0.078 0.000 1.129 840 I CA 1.647 62.955 61.300 0.013 0.000 1.402 840 I CB -1.893 36.145 38.000 0.063 0.000 1.069 840 I HN 0.369 nan 8.210 nan 0.000 0.424 841 G N 0.249 109.075 108.800 0.043 0.000 2.430 841 G HA2 -0.084 3.865 3.960 -0.019 0.000 0.216 841 G HA3 -0.084 3.865 3.960 -0.019 0.000 0.216 841 G C 1.618 176.551 174.900 0.054 0.000 1.146 841 G CA 0.652 45.772 45.100 0.033 0.000 0.793 841 G HN 0.493 nan 8.290 nan 0.000 0.537 842 G N -1.038 107.800 108.800 0.065 0.000 2.985 842 G HA2 0.085 4.033 3.960 -0.019 0.000 0.209 842 G HA3 0.085 4.033 3.960 -0.019 0.000 0.209 842 G C 1.174 176.139 174.900 0.109 0.000 1.165 842 G CA 0.479 45.627 45.100 0.080 0.000 0.776 842 G HN 0.441 nan 8.290 nan 0.000 0.541 843 Y N -0.038 120.259 120.300 -0.006 0.000 2.500 843 Y HA 0.200 4.751 4.550 0.002 0.000 0.284 843 Y C 2.360 178.261 175.900 0.002 0.000 1.118 843 Y CA 0.507 58.604 58.100 -0.004 0.000 1.241 843 Y CB 0.429 38.879 38.460 -0.017 0.000 1.171 843 Y HN -0.008 nan 8.280 nan 0.000 0.540 844 V N 0.105 120.088 119.914 0.115 0.000 2.548 844 V HA -0.157 3.952 4.120 -0.019 0.000 0.249 844 V C 2.426 178.503 176.094 -0.028 0.000 1.055 844 V CA 1.864 64.183 62.300 0.031 0.000 1.065 844 V CB -1.269 30.595 31.823 0.069 0.000 0.681 844 V HN 0.609 nan 8.190 nan 0.000 0.462 845 G N -0.871 107.929 108.800 0.000 0.000 2.625 845 G HA2 0.039 3.987 3.960 -0.019 0.000 0.214 845 G HA3 0.039 3.987 3.960 -0.019 0.000 0.214 845 G C 1.354 176.245 174.900 -0.015 0.000 1.132 845 G CA 1.017 46.124 45.100 0.013 0.000 0.782 845 G HN 0.604 nan 8.290 nan 0.000 0.538 846 A N -0.025 122.744 122.820 -0.085 0.000 2.026 846 A HA 0.686 4.994 4.320 -0.019 0.000 0.201 846 A C 2.473 179.950 177.584 -0.179 0.000 1.318 846 A CA 1.251 53.217 52.037 -0.119 0.000 0.857 846 A CB -0.316 18.600 19.000 -0.140 0.000 0.939 846 A HN 0.466 nan 8.150 nan 0.000 0.476 847 A N 0.324 122.970 122.820 -0.289 0.000 1.968 847 A HA -0.032 4.277 4.320 -0.019 0.000 0.217 847 A C 2.301 179.807 177.584 -0.131 0.000 1.169 847 A CA 2.337 54.206 52.037 -0.279 0.000 0.638 847 A CB -1.117 17.648 19.000 -0.390 0.000 0.812 847 A HN 0.710 nan 8.150 nan 0.000 0.446 848 T N -3.817 110.688 114.554 -0.082 0.000 3.023 848 T HA 0.050 4.389 4.350 -0.019 0.000 0.266 848 T C 1.532 176.223 174.700 -0.015 0.000 1.093 848 T CA 1.192 63.273 62.100 -0.032 0.000 1.129 848 T CB -0.032 68.828 68.868 -0.013 0.000 0.899 848 T HN 0.020 nan 8.240 nan 0.000 0.491 849 V N 1.206 121.106 119.914 -0.024 0.000 2.725 849 V HA 0.231 4.339 4.120 -0.019 0.000 0.247 849 V C 2.825 178.926 176.094 0.012 0.000 1.058 849 V CA 1.319 63.617 62.300 -0.003 0.000 1.080 849 V CB -0.679 31.141 31.823 -0.006 0.000 0.713 849 V HN 0.635 nan 8.190 nan 0.000 0.465 850 G N -0.023 108.764 108.800 -0.022 0.000 2.464 850 G HA2 -0.188 3.761 3.960 -0.019 0.000 0.214 850 G HA3 -0.188 3.761 3.960 -0.019 0.000 0.214 850 G C 1.712 176.641 174.900 0.048 0.000 1.218 850 G CA 0.913 46.005 45.100 -0.013 0.000 0.794 850 G HN 0.566 nan 8.290 nan 0.000 0.542 851 A N 0.639 123.445 122.820 -0.024 0.000 2.125 851 A HA 0.366 4.675 4.320 -0.019 0.000 0.219 851 A C 2.611 180.338 177.584 0.239 0.000 1.156 851 A CA 2.072 54.104 52.037 -0.008 0.000 0.671 851 A CB -0.439 18.477 19.000 -0.141 0.000 0.794 851 A HN 0.699 nan 8.150 nan 0.000 0.459 852 A N -0.181 122.750 122.820 0.184 0.000 1.850 852 A HA 0.358 4.667 4.320 -0.019 0.000 0.212 852 A C 2.423 180.215 177.584 0.345 0.000 1.208 852 A CA 1.406 53.573 52.037 0.216 0.000 0.609 852 A CB -1.060 18.001 19.000 0.101 0.000 0.860 852 A HN 1.015 nan 8.150 nan 0.000 0.448 853 A N -1.975 120.996 122.820 0.253 0.000 2.121 853 A HA -0.110 4.198 4.320 -0.019 0.000 0.218 853 A C 1.809 179.592 177.584 0.332 0.000 1.154 853 A CA 1.248 53.437 52.037 0.253 0.000 0.679 853 A CB -0.894 18.162 19.000 0.093 0.000 0.795 853 A HN 0.837 nan 8.150 nan 0.000 0.458 854 W N -0.957 120.424 121.300 0.135 0.000 2.421 854 W HA -0.147 4.519 4.660 0.010 0.000 0.270 854 W C 1.688 178.307 176.519 0.167 0.000 1.233 854 W CA 1.336 58.740 57.345 0.098 0.000 1.226 854 W CB -0.263 29.213 29.460 0.027 0.000 1.121 854 W HN 0.541 nan 8.180 nan 0.000 0.579 855 W N -0.756 120.616 121.300 0.120 0.000 2.584 855 W HA -0.032 4.614 4.660 -0.023 0.000 0.264 855 W C 1.286 177.691 176.519 -0.191 0.000 1.264 855 W CA 1.126 58.415 57.345 -0.094 0.000 1.306 855 W CB -0.585 28.892 29.460 0.029 0.000 1.110 855 W HN -0.164 nan 8.180 nan 0.000 0.606 856 F N -0.351 119.572 119.950 -0.045 0.000 2.789 856 F HA 0.113 4.628 4.527 -0.021 0.000 0.300 856 F C 1.988 177.605 175.800 -0.304 0.000 1.132 856 F CA 0.970 58.819 58.000 -0.252 0.000 1.404 856 F CB 0.014 38.932 39.000 -0.136 0.000 1.114 856 F HN -0.137 nan 8.300 nan 0.000 0.584 857 M N -3.029 116.504 119.600 -0.112 0.000 3.112 857 M HA 0.069 4.538 4.480 -0.019 0.000 0.229 857 M C 0.760 176.924 176.300 -0.225 0.000 1.673 857 M CA 0.821 56.053 55.300 -0.113 0.000 1.303 857 M CB 0.038 32.679 32.600 0.068 0.000 1.159 857 M HN -0.082 nan 8.290 nan 0.000 0.588 858 Y N 0.686 120.601 120.300 -0.642 0.000 2.555 858 Y HA 0.481 5.025 4.550 -0.009 0.000 0.259 858 Y C 0.914 176.264 175.900 -0.916 0.000 1.179 858 Y CA -0.922 56.756 58.100 -0.703 0.000 1.230 858 Y CB 0.402 38.491 38.460 -0.619 0.000 1.146 858 Y HN 0.139 nan 8.280 nan 0.000 0.526 859 A N 0.249 122.569 122.820 -0.833 0.000 2.296 859 A HA 0.231 4.539 4.320 -0.019 0.000 0.264 859 A C 0.941 178.217 177.584 -0.514 0.000 1.097 859 A CA -0.315 51.242 52.037 -0.800 0.000 0.811 859 A CB 0.666 19.152 19.000 -0.857 0.000 1.072 859 A HN 0.289 nan 8.150 nan 0.000 0.495 860 E N 0.101 120.082 120.200 -0.365 0.000 2.083 860 E HA -0.043 4.295 4.350 -0.019 0.000 0.193 860 E C 0.566 177.017 176.600 -0.248 0.000 0.950 860 E CA 0.821 57.075 56.400 -0.245 0.000 0.849 860 E CB -0.316 29.306 29.700 -0.131 0.000 0.827 860 E HN 0.695 nan 8.360 nan 0.000 0.465 861 D N 0.695 120.972 120.400 -0.204 0.000 2.347 861 D HA 0.064 4.693 4.640 -0.019 0.000 0.213 861 D C 0.695 176.835 176.300 -0.267 0.000 0.985 861 D CA 0.412 54.315 54.000 -0.161 0.000 0.879 861 D CB 0.103 40.876 40.800 -0.044 0.000 0.919 861 D HN 0.046 nan 8.370 nan 0.000 0.526 862 G N 0.565 109.025 108.800 -0.567 0.000 2.410 862 G HA2 0.434 4.383 3.960 -0.019 0.000 0.330 862 G HA3 0.434 4.383 3.960 -0.019 0.000 0.330 862 G C -2.604 171.676 174.900 -1.034 0.000 1.142 862 G CA -1.378 43.031 45.100 -1.151 0.000 0.902 862 G HN -0.174 nan 8.290 nan 0.000 0.491 863 P HA 0.132 nan 4.420 nan 0.000 0.257 863 P C 0.553 177.426 177.300 -0.712 0.000 1.359 863 P CA 0.109 62.770 63.100 -0.731 0.000 1.239 863 P CB 0.289 31.576 31.700 -0.689 0.000 1.549 864 G N 2.852 111.310 108.800 -0.569 0.000 2.621 864 G HA2 0.340 4.289 3.960 -0.019 0.000 0.306 864 G HA3 0.340 4.289 3.960 -0.019 0.000 0.306 864 G C 0.096 174.799 174.900 -0.328 0.000 0.893 864 G CA -0.359 44.457 45.100 -0.474 0.000 1.486 864 G HN 0.374 nan 8.290 nan 0.000 0.477 865 V N 1.503 121.259 119.914 -0.264 0.000 2.240 865 V HA 0.433 4.542 4.120 -0.019 0.000 0.265 865 V C 0.630 176.682 176.094 -0.069 0.000 1.073 865 V CA -0.782 61.452 62.300 -0.111 0.000 0.857 865 V CB -0.193 31.575 31.823 -0.092 0.000 1.114 865 V HN 0.609 nan 8.190 nan 0.000 0.469 866 T N 1.520 115.955 114.554 -0.198 0.000 2.829 866 T HA 0.257 4.596 4.350 -0.019 0.000 0.293 866 T C 0.184 174.696 174.700 -0.313 0.000 0.970 866 T CA 0.275 62.108 62.100 -0.446 0.000 1.168 866 T CB -0.558 67.888 68.868 -0.702 0.000 0.911 866 T HN 1.219 nan 8.240 nan 0.000 0.535 867 Y N -0.239 120.133 120.300 0.120 0.000 3.589 867 Y HA -0.210 4.328 4.550 -0.020 0.000 0.218 867 Y C 0.963 176.930 175.900 0.111 0.000 1.234 867 Y CA 0.555 58.719 58.100 0.108 0.000 1.576 867 Y CB -3.168 35.336 38.460 0.074 0.000 1.487 867 Y HN 0.900 nan 8.280 nan 0.000 0.616 868 H N 2.812 121.965 119.070 0.137 0.000 2.930 868 H HA 0.060 4.604 4.556 -0.019 0.000 0.307 868 H C 0.429 175.868 175.328 0.185 0.000 1.247 868 H CA 0.559 56.694 56.048 0.145 0.000 1.181 868 H CB -0.026 29.800 29.762 0.106 0.000 1.390 868 H HN 0.460 nan 8.280 nan 0.000 0.549 869 Q N 0.992 120.936 119.800 0.240 0.000 2.402 869 Q HA -0.232 4.097 4.340 -0.019 0.000 0.356 869 Q C 1.421 177.587 176.000 0.277 0.000 1.344 869 Q CA 0.336 56.290 55.803 0.253 0.000 1.062 869 Q CB -1.536 27.349 28.738 0.246 0.000 1.268 869 Q HN 0.684 nan 8.270 nan 0.000 0.383 870 L N -1.278 120.072 121.223 0.212 0.000 2.353 870 L HA -0.142 4.186 4.340 -0.019 0.000 0.220 870 L C 2.061 178.991 176.870 0.099 0.000 1.133 870 L CA 1.464 56.393 54.840 0.149 0.000 0.798 870 L CB -0.365 41.746 42.059 0.086 0.000 0.922 870 L HN 0.274 nan 8.230 nan 0.000 0.445 871 T N -2.568 112.063 114.554 0.128 0.000 2.896 871 T HA -0.151 4.188 4.350 -0.019 0.000 0.263 871 T C 1.884 176.660 174.700 0.127 0.000 1.050 871 T CA 0.762 62.920 62.100 0.096 0.000 1.140 871 T CB -0.230 68.692 68.868 0.091 0.000 0.877 871 T HN 0.356 nan 8.240 nan 0.000 0.457 872 H N 0.981 120.133 119.070 0.136 0.000 2.326 872 H HA 0.029 4.574 4.556 -0.019 0.000 0.301 872 H C 0.261 175.747 175.328 0.263 0.000 1.081 872 H CA 1.163 57.328 56.048 0.194 0.000 1.334 872 H CB -0.033 29.883 29.762 0.257 0.000 1.385 872 H HN 0.444 nan 8.280 nan 0.000 0.504 873 F N -1.236 118.861 119.950 0.246 0.000 2.573 873 F HA 0.443 4.959 4.527 -0.017 0.000 0.316 873 F C -0.560 175.229 175.800 -0.018 0.000 1.148 873 F CA -1.085 56.992 58.000 0.129 0.000 0.940 873 F CB 1.058 40.177 39.000 0.198 0.000 1.214 873 F HN -0.191 nan 8.300 nan 0.000 0.448 874 M N 3.643 123.125 119.600 -0.196 0.000 2.705 874 M HA 0.196 4.665 4.480 -0.019 0.000 0.387 874 M C 0.118 176.305 176.300 -0.188 0.000 1.204 874 M CA 0.342 55.398 55.300 -0.407 0.000 0.905 874 M CB 0.750 33.186 32.600 -0.274 0.000 1.394 874 M HN 0.918 nan 8.290 nan 0.000 0.515 875 Q N -1.154 118.673 119.800 0.045 0.000 2.390 875 Q HA 0.095 4.424 4.340 -0.019 0.000 0.216 875 Q C 1.271 177.356 176.000 0.143 0.000 0.916 875 Q CA 0.266 56.121 55.803 0.086 0.000 0.911 875 Q CB 0.555 29.373 28.738 0.134 0.000 1.035 875 Q HN 0.560 nan 8.270 nan 0.000 0.541 876 C N 1.762 121.280 119.300 0.363 0.000 4.259 876 C HA -0.204 4.245 4.460 -0.019 0.000 0.294 876 C C 1.577 176.643 174.990 0.126 0.000 1.459 876 C CA 0.965 60.162 59.018 0.297 0.000 2.016 876 C CB -2.155 25.701 27.740 0.192 0.000 1.274 876 C HN 0.656 nan 8.230 nan 0.000 0.792 877 T N -0.718 113.900 114.554 0.107 0.000 2.985 877 T HA -0.066 4.273 4.350 -0.019 0.000 0.266 877 T C 1.423 176.128 174.700 0.008 0.000 1.076 877 T CA 1.776 63.915 62.100 0.064 0.000 1.135 877 T CB 0.085 69.019 68.868 0.110 0.000 0.890 877 T HN 0.798 nan 8.240 nan 0.000 0.480 878 E N 0.646 120.818 120.200 -0.046 0.000 2.065 878 E HA 0.024 4.363 4.350 -0.019 0.000 0.191 878 E C 0.583 177.143 176.600 -0.067 0.000 0.960 878 E CA 0.275 56.615 56.400 -0.099 0.000 0.824 878 E CB 0.123 29.715 29.700 -0.180 0.000 0.793 878 E HN 0.159 nan 8.360 nan 0.000 0.459 879 D N -0.317 120.009 120.400 -0.122 0.000 2.772 879 D HA -0.213 4.416 4.640 -0.019 0.000 0.233 879 D C 0.535 176.825 176.300 -0.017 0.000 1.143 879 D CA 0.974 54.955 54.000 -0.031 0.000 0.700 879 D CB -1.213 39.624 40.800 0.063 0.000 1.076 879 D HN 0.591 nan 8.370 nan 0.000 0.430 880 H N -0.953 118.002 119.070 -0.192 0.000 2.476 880 H HA 0.227 4.772 4.556 -0.019 0.000 0.292 880 H C -0.927 174.334 175.328 -0.112 0.000 1.019 880 H CA 0.894 56.856 56.048 -0.143 0.000 1.330 880 H CB -0.528 29.136 29.762 -0.163 0.000 1.451 880 H HN 0.319 nan 8.280 nan 0.000 0.535 881 P HA -0.015 nan 4.420 nan 0.000 0.226 881 P C 0.334 177.597 177.300 -0.061 0.000 1.153 881 P CA 0.990 63.780 63.100 -0.516 0.000 0.777 881 P CB 0.195 31.721 31.700 -0.290 0.000 0.794 890 I N -1.727 119.001 120.570 0.263 0.000 3.291 890 I HA 0.247 4.405 4.170 -0.019 0.000 0.279 890 I C 1.382 177.710 176.117 0.353 0.000 1.294 890 I CA 0.418 61.844 61.300 0.210 0.000 1.428 890 I CB -0.556 37.477 38.000 0.054 0.000 1.070 890 I HN -0.073 nan 8.210 nan 0.000 0.478 891 F N 1.852 121.982 119.950 0.301 0.000 2.325 891 F HA 0.032 4.549 4.527 -0.017 0.000 0.299 891 F C 1.945 177.898 175.800 0.256 0.000 1.090 891 F CA 1.082 59.332 58.000 0.417 0.000 1.392 891 F CB -0.520 38.563 39.000 0.138 0.000 1.053 891 F HN 0.199 nan 8.300 nan 0.000 0.521 892 E N 0.280 120.679 120.200 0.332 0.000 2.335 892 E HA 0.291 4.630 4.350 -0.019 0.000 0.191 892 E C 0.405 177.077 176.600 0.120 0.000 1.077 892 E CA -0.344 56.167 56.400 0.185 0.000 1.010 892 E CB 0.026 29.808 29.700 0.136 0.000 1.141 892 E HN 0.177 nan 8.360 nan 0.000 0.452 893 A N 2.264 125.159 122.820 0.126 0.000 2.371 893 A HA 0.203 4.512 4.320 -0.019 0.000 0.257 893 A C -1.368 176.138 177.584 -0.131 0.000 1.089 893 A CA -1.137 50.888 52.037 -0.019 0.000 0.794 893 A CB 0.257 19.210 19.000 -0.080 0.000 1.029 893 A HN 0.008 nan 8.150 nan 0.000 0.488 894 P HA -0.054 nan 4.420 nan 0.000 0.221 894 P C 0.679 177.794 177.300 -0.308 0.000 1.155 894 P CA 0.992 63.992 63.100 -0.166 0.000 0.812 894 P CB 0.303 31.941 31.700 -0.103 0.000 0.801 895 E N 0.784 120.657 120.200 -0.545 0.000 2.051 895 E HA -0.113 4.226 4.350 -0.019 0.000 0.192 895 E C -0.493 175.596 176.600 -0.851 0.000 0.991 895 E CA 2.000 57.936 56.400 -0.773 0.000 0.799 895 E CB -1.892 27.181 29.700 -1.046 0.000 0.748 895 E HN 0.403 nan 8.360 nan 0.000 0.449 896 P HA -0.161 nan 4.420 nan 0.000 0.216 896 P C 1.285 178.493 177.300 -0.153 0.000 1.153 896 P CA 1.437 64.310 63.100 -0.379 0.000 0.848 896 P CB -0.024 31.701 31.700 0.041 0.000 0.787 897 M N -0.736 118.774 119.600 -0.150 0.000 2.213 897 M HA -0.092 4.377 4.480 -0.019 0.000 0.263 897 M C 1.733 177.988 176.300 -0.076 0.000 1.062 897 M CA 1.989 57.248 55.300 -0.069 0.000 1.105 897 M CB -1.065 31.511 32.600 -0.041 0.000 1.385 897 M HN -0.038 nan 8.290 nan 0.000 0.417 898 T N -0.230 114.237 114.554 -0.146 0.000 3.055 898 T HA 0.008 4.347 4.350 -0.019 0.000 0.265 898 T C 1.717 176.327 174.700 -0.151 0.000 1.111 898 T CA 0.685 62.699 62.100 -0.143 0.000 1.118 898 T CB 0.066 68.809 68.868 -0.208 0.000 0.909 898 T HN 0.245 nan 8.240 nan 0.000 0.501 899 M N 1.120 120.643 119.600 -0.128 0.000 2.236 899 M HA 0.244 4.713 4.480 -0.019 0.000 0.266 899 M C 2.738 179.023 176.300 -0.024 0.000 1.070 899 M CA 0.844 56.104 55.300 -0.066 0.000 1.137 899 M CB -1.264 31.364 32.600 0.047 0.000 1.378 899 M HN 0.317 nan 8.290 nan 0.000 0.426 900 A N 0.115 122.932 122.820 -0.007 0.000 1.873 900 A HA -0.138 4.171 4.320 -0.019 0.000 0.215 900 A C 2.190 179.782 177.584 0.013 0.000 1.186 900 A CA 1.229 53.270 52.037 0.006 0.000 0.616 900 A CB -0.961 18.046 19.000 0.011 0.000 0.823 900 A HN 0.386 nan 8.150 nan 0.000 0.442 901 L N 0.084 121.319 121.223 0.021 0.000 2.042 901 L HA -0.128 4.200 4.340 -0.019 0.000 0.210 901 L C 2.523 179.439 176.870 0.077 0.000 1.076 901 L CA 2.510 57.376 54.840 0.044 0.000 0.749 901 L CB -0.457 41.644 42.059 0.071 0.000 0.893 901 L HN 0.297 nan 8.230 nan 0.000 0.432 902 S N -1.637 114.153 115.700 0.151 0.000 2.423 902 S HA -0.096 4.363 4.470 -0.019 0.000 0.231 902 S C 1.921 176.642 174.600 0.202 0.000 1.014 902 S CA 1.058 59.449 58.200 0.317 0.000 0.965 902 S CB -0.189 62.995 63.200 -0.027 0.000 0.785 902 S HN 0.312 nan 8.310 nan 0.000 0.495 903 V N 1.537 121.502 119.914 0.086 0.000 2.323 903 V HA -0.097 4.011 4.120 -0.019 0.000 0.244 903 V C 2.173 178.306 176.094 0.066 0.000 1.041 903 V CA 1.277 63.618 62.300 0.069 0.000 1.025 903 V CB -0.552 31.279 31.823 0.013 0.000 0.656 903 V HN 0.337 nan 8.190 nan 0.000 0.451 904 L N 0.060 121.304 121.223 0.034 0.000 1.943 904 L HA -0.166 4.163 4.340 -0.019 0.000 0.215 904 L C 2.434 179.308 176.870 0.007 0.000 1.074 904 L CA 2.071 56.919 54.840 0.014 0.000 0.759 904 L CB -0.748 41.307 42.059 -0.007 0.000 0.888 904 L HN 0.126 nan 8.230 nan 0.000 0.433 905 V N -0.557 119.329 119.914 -0.048 0.000 2.277 905 V HA -0.441 3.668 4.120 -0.019 0.000 0.255 905 V C 2.475 178.577 176.094 0.014 0.000 1.074 905 V CA 2.521 64.763 62.300 -0.097 0.000 1.058 905 V CB -1.231 30.352 31.823 -0.399 0.000 0.656 905 V HN 0.632 nan 8.190 nan 0.000 0.449 906 T N -0.307 114.305 114.554 0.097 0.000 2.737 906 T HA -0.035 4.304 4.350 -0.019 0.000 0.265 906 T C 1.788 176.549 174.700 0.101 0.000 1.038 906 T CA 1.619 63.796 62.100 0.129 0.000 1.144 906 T CB -0.241 68.752 68.868 0.208 0.000 0.866 906 T HN 0.365 nan 8.240 nan 0.000 0.434 907 I N 1.020 121.651 120.570 0.101 0.000 2.264 907 I HA -0.152 4.007 4.170 -0.019 0.000 0.248 907 I C 2.725 178.902 176.117 0.099 0.000 1.111 907 I CA 1.065 62.428 61.300 0.106 0.000 1.382 907 I CB -0.358 37.717 38.000 0.125 0.000 1.060 907 I HN 0.151 nan 8.210 nan 0.000 0.418 908 E N 0.563 120.812 120.200 0.082 0.000 2.085 908 E HA -0.213 4.125 4.350 -0.019 0.000 0.194 908 E C 2.209 178.925 176.600 0.194 0.000 0.994 908 E CA 1.364 57.834 56.400 0.117 0.000 0.801 908 E CB -0.217 29.516 29.700 0.054 0.000 0.743 908 E HN 0.388 nan 8.360 nan 0.000 0.453 909 M N -0.356 119.311 119.600 0.111 0.000 2.229 909 M HA -0.111 4.358 4.480 -0.019 0.000 0.264 909 M C 2.509 178.846 176.300 0.062 0.000 1.063 909 M CA 0.747 56.090 55.300 0.071 0.000 1.114 909 M CB -1.282 31.339 32.600 0.035 0.000 1.387 909 M HN 0.159 nan 8.290 nan 0.000 0.420 910 C N 0.494 119.839 119.300 0.075 0.000 2.476 910 C HA -0.093 4.356 4.460 -0.019 0.000 0.278 910 C C 2.581 177.613 174.990 0.070 0.000 1.274 910 C CA 0.993 60.047 59.018 0.060 0.000 1.713 910 C CB -1.301 26.475 27.740 0.060 0.000 2.039 910 C HN 0.582 nan 8.230 nan 0.000 0.484 911 N N 0.966 119.737 118.700 0.119 0.000 2.309 911 N HA -0.049 4.680 4.740 -0.019 0.000 0.182 911 N C 1.631 177.246 175.510 0.174 0.000 1.018 911 N CA 1.355 54.503 53.050 0.164 0.000 0.876 911 N CB -0.199 38.411 38.487 0.204 0.000 0.972 911 N HN 0.475 nan 8.380 nan 0.000 0.434 912 A N 0.253 123.141 122.820 0.114 0.000 1.902 912 A HA -0.074 4.235 4.320 -0.019 0.000 0.217 912 A C 2.171 179.680 177.584 -0.126 0.000 1.181 912 A CA 1.022 52.937 52.037 -0.204 0.000 0.623 912 A CB -0.689 18.170 19.000 -0.234 0.000 0.818 912 A HN 0.336 nan 8.150 nan 0.000 0.443 913 L N -0.242 120.956 121.223 -0.042 0.000 2.141 913 L HA -0.122 4.207 4.340 -0.019 0.000 0.209 913 L C 1.642 178.500 176.870 -0.021 0.000 1.094 913 L CA 0.826 55.647 54.840 -0.033 0.000 0.763 913 L CB -0.554 41.498 42.059 -0.011 0.000 0.908 913 L HN 0.311 nan 8.230 nan 0.000 0.437 914 N N -0.686 118.019 118.700 0.009 0.000 2.571 914 N HA -0.064 4.664 4.740 -0.019 0.000 0.189 914 N C 1.578 177.116 175.510 0.046 0.000 1.154 914 N CA 0.615 53.682 53.050 0.028 0.000 0.907 914 N CB 0.278 38.796 38.487 0.051 0.000 0.977 914 N HN 0.220 nan 8.380 nan 0.000 0.449 915 S N 0.108 115.819 115.700 0.018 0.000 2.497 915 S HA 0.244 4.703 4.470 -0.019 0.000 0.221 915 S C 1.862 176.459 174.600 -0.004 0.000 1.037 915 S CA -0.439 57.774 58.200 0.021 0.000 0.920 915 S CB 0.516 63.700 63.200 -0.026 0.000 0.800 915 S HN 0.204 nan 8.310 nan 0.000 0.505 916 L N 2.094 123.299 121.223 -0.030 0.000 2.230 916 L HA -0.168 4.161 4.340 -0.019 0.000 0.217 916 L C 0.904 177.766 176.870 -0.014 0.000 1.090 916 L CA 1.025 55.847 54.840 -0.029 0.000 0.771 916 L CB -0.208 41.823 42.059 -0.047 0.000 0.892 916 L HN 0.391 nan 8.230 nan 0.000 0.438 917 S N -3.477 112.221 115.700 -0.004 0.000 2.607 917 S HA 0.191 4.650 4.470 -0.019 0.000 0.273 917 S C 0.270 174.887 174.600 0.030 0.000 1.148 917 S CA -0.744 57.461 58.200 0.009 0.000 0.833 917 S CB 1.946 65.145 63.200 -0.002 0.000 1.130 917 S HN 0.149 nan 8.310 nan 0.000 0.470 918 E N 0.758 120.981 120.200 0.039 0.000 2.086 918 E HA 0.049 4.387 4.350 -0.019 0.000 0.190 918 E C 0.884 177.519 176.600 0.060 0.000 0.975 918 E CA 0.760 57.194 56.400 0.056 0.000 0.813 918 E CB 0.011 29.746 29.700 0.059 0.000 0.768 918 E HN 0.710 nan 8.360 nan 0.000 0.457 919 N N -0.464 118.271 118.700 0.057 0.000 2.143 919 N HA 0.035 4.764 4.740 -0.019 0.000 0.222 919 N C -0.610 174.947 175.510 0.078 0.000 1.264 919 N CA -0.087 53.007 53.050 0.073 0.000 0.897 919 N CB 0.909 39.440 38.487 0.072 0.000 1.092 919 N HN 0.066 nan 8.380 nan 0.000 0.516 920 Q N 1.388 121.218 119.800 0.049 0.000 2.288 920 Q HA 0.150 4.479 4.340 -0.019 0.000 0.258 920 Q C 0.021 176.031 176.000 0.016 0.000 0.957 920 Q CA 0.114 55.939 55.803 0.037 0.000 0.919 920 Q CB 1.882 30.624 28.738 0.008 0.000 1.185 920 Q HN 0.004 nan 8.270 nan 0.000 0.408 921 S N 1.879 117.586 115.700 0.012 0.000 2.566 921 S HA 0.030 4.489 4.470 -0.019 0.000 0.280 921 S C 1.461 176.020 174.600 -0.068 0.000 1.343 921 S CA -0.300 57.879 58.200 -0.035 0.000 1.036 921 S CB 0.373 63.514 63.200 -0.098 0.000 0.866 921 S HN 0.648 nan 8.310 nan 0.000 0.526 922 L N 3.783 124.962 121.223 -0.075 0.000 2.362 922 L HA -0.118 4.211 4.340 -0.019 0.000 0.219 922 L C 2.415 179.205 176.870 -0.134 0.000 1.134 922 L CA 0.722 55.500 54.840 -0.104 0.000 0.807 922 L CB -0.296 41.718 42.059 -0.075 0.000 0.927 922 L HN 0.738 nan 8.230 nan 0.000 0.447 923 M N -0.826 118.709 119.600 -0.110 0.000 2.067 923 M HA -0.234 4.235 4.480 -0.019 0.000 0.260 923 M C 2.414 178.646 176.300 -0.113 0.000 1.069 923 M CA 1.824 57.062 55.300 -0.104 0.000 1.117 923 M CB -0.666 31.864 32.600 -0.117 0.000 1.334 923 M HN 0.176 nan 8.290 nan 0.000 0.407 924 R N -0.577 119.863 120.500 -0.100 0.000 2.093 924 R HA 0.026 4.355 4.340 -0.019 0.000 0.224 924 R C 0.408 176.642 176.300 -0.110 0.000 1.101 924 R CA 0.618 56.671 56.100 -0.078 0.000 0.979 924 R CB 0.209 30.488 30.300 -0.036 0.000 0.877 924 R HN 0.113 nan 8.270 nan 0.000 0.441 925 M N 1.802 121.323 119.600 -0.131 0.000 2.268 925 M HA 0.337 4.806 4.480 -0.019 0.000 0.340 925 M C -2.461 173.676 176.300 -0.273 0.000 1.099 925 M CA -2.762 52.439 55.300 -0.165 0.000 1.053 925 M CB 1.674 34.213 32.600 -0.102 0.000 1.284 925 M HN -0.237 nan 8.290 nan 0.000 0.410 926 P HA 0.152 nan 4.420 nan 0.000 0.268 926 P C -2.276 174.626 177.300 -0.664 0.000 1.205 926 P CA -0.917 61.664 63.100 -0.864 0.000 0.771 926 P CB 0.149 30.875 31.700 -1.623 0.000 0.858 927 P HA -0.099 nan 4.420 nan 0.000 0.225 927 P C 0.266 177.552 177.300 -0.024 0.000 1.148 927 P CA 1.057 64.070 63.100 -0.144 0.000 0.779 927 P CB -0.314 31.395 31.700 0.014 0.000 0.780 928 W N -2.326 118.979 121.300 0.007 0.000 3.325 928 W HA 0.366 5.013 4.660 -0.022 0.000 0.370 928 W C 0.609 177.144 176.519 0.027 0.000 1.169 928 W CA -0.309 57.043 57.345 0.013 0.000 1.874 928 W CB -1.346 28.118 29.460 0.007 0.000 1.076 928 W HN -0.343 nan 8.180 nan 0.000 0.684 929 V N 1.434 121.293 119.914 -0.091 0.000 2.379 929 V HA -0.167 3.942 4.120 -0.019 0.000 0.243 929 V C 1.201 177.335 176.094 0.067 0.000 1.035 929 V CA 1.329 63.612 62.300 -0.027 0.000 1.035 929 V CB -0.767 30.989 31.823 -0.112 0.000 0.673 929 V HN 0.223 nan 8.190 nan 0.000 0.457 930 N N 1.604 120.339 118.700 0.057 0.000 2.605 930 N HA 0.084 4.813 4.740 -0.019 0.000 0.258 930 N C 0.850 176.464 175.510 0.172 0.000 1.156 930 N CA -0.043 53.073 53.050 0.110 0.000 1.008 930 N CB 0.219 38.745 38.487 0.066 0.000 1.354 930 N HN 0.125 nan 8.380 nan 0.000 0.509 931 I N 1.052 121.776 120.570 0.255 0.000 2.502 931 I HA -0.215 3.943 4.170 -0.019 0.000 0.258 931 I C 0.868 177.112 176.117 0.213 0.000 1.172 931 I CA 0.921 62.377 61.300 0.259 0.000 1.430 931 I CB -0.513 37.678 38.000 0.319 0.000 1.086 931 I HN 0.555 nan 8.210 nan 0.000 0.440 932 W N -0.701 120.580 121.300 -0.032 0.000 3.114 932 W HA 0.104 4.752 4.660 -0.020 0.000 0.279 932 W C 2.052 178.490 176.519 -0.136 0.000 1.277 932 W CA -0.285 56.995 57.345 -0.108 0.000 1.630 932 W CB -0.607 28.735 29.460 -0.196 0.000 1.087 932 W HN -0.008 nan 8.180 nan 0.000 0.637 933 L N -0.003 121.269 121.223 0.082 0.000 2.162 933 L HA 0.059 4.388 4.340 -0.019 0.000 0.205 933 L C 1.939 178.793 176.870 -0.028 0.000 1.086 933 L CA 1.786 56.619 54.840 -0.011 0.000 0.778 933 L CB -0.744 41.301 42.059 -0.022 0.000 0.928 933 L HN -0.083 nan 8.230 nan 0.000 0.446 934 L N -0.810 120.411 121.223 -0.002 0.000 2.027 934 L HA -0.079 4.250 4.340 -0.019 0.000 0.206 934 L C 2.506 179.338 176.870 -0.063 0.000 1.074 934 L CA 1.310 56.142 54.840 -0.014 0.000 0.745 934 L CB -1.507 40.566 42.059 0.024 0.000 0.898 934 L HN 0.416 nan 8.230 nan 0.000 0.433 935 G N -0.095 108.638 108.800 -0.111 0.000 2.462 935 G HA2 -0.279 3.670 3.960 -0.019 0.000 0.220 935 G HA3 -0.279 3.670 3.960 -0.019 0.000 0.220 935 G C 1.798 176.604 174.900 -0.155 0.000 1.121 935 G CA 1.118 46.109 45.100 -0.182 0.000 0.758 935 G HN 0.522 nan 8.290 nan 0.000 0.559 936 S N 0.552 116.179 115.700 -0.123 0.000 2.362 936 S HA 0.029 4.488 4.470 -0.019 0.000 0.221 936 S C 2.300 176.845 174.600 -0.093 0.000 1.032 936 S CA 0.784 58.918 58.200 -0.110 0.000 0.973 936 S CB -0.393 62.743 63.200 -0.106 0.000 0.849 936 S HN 0.304 nan 8.310 nan 0.000 0.465 937 I N 1.683 122.206 120.570 -0.079 0.000 2.151 937 I HA -0.269 3.890 4.170 -0.019 0.000 0.243 937 I C 2.731 178.799 176.117 -0.080 0.000 1.080 937 I CA 1.274 62.535 61.300 -0.066 0.000 1.339 937 I CB -0.823 37.149 38.000 -0.046 0.000 1.039 937 I HN 0.403 nan 8.210 nan 0.000 0.409 938 C N 0.214 119.465 119.300 -0.082 0.000 2.385 938 C HA -0.204 4.245 4.460 -0.019 0.000 0.275 938 C C 2.690 177.623 174.990 -0.094 0.000 1.207 938 C CA 0.853 59.818 59.018 -0.087 0.000 1.760 938 C CB -0.989 26.700 27.740 -0.084 0.000 2.051 938 C HN 0.500 nan 8.230 nan 0.000 0.467 939 L N 0.513 121.682 121.223 -0.090 0.000 2.395 939 L HA 0.043 4.372 4.340 -0.019 0.000 0.218 939 L C 2.363 179.195 176.870 -0.063 0.000 1.130 939 L CA 1.551 56.347 54.840 -0.073 0.000 0.826 939 L CB -0.597 41.415 42.059 -0.078 0.000 0.941 939 L HN 0.206 nan 8.230 nan 0.000 0.451 940 S N -1.040 114.614 115.700 -0.077 0.000 2.395 940 S HA -0.053 4.406 4.470 -0.019 0.000 0.225 940 S C 1.842 176.400 174.600 -0.070 0.000 1.027 940 S CA 1.080 59.242 58.200 -0.064 0.000 0.965 940 S CB -0.101 63.059 63.200 -0.067 0.000 0.812 940 S HN 0.334 nan 8.310 nan 0.000 0.482 941 M N 1.690 121.193 119.600 -0.163 0.000 2.236 941 M HA 0.050 4.519 4.480 -0.019 0.000 0.266 941 M C 2.292 178.258 176.300 -0.557 0.000 1.070 941 M CA 1.103 56.177 55.300 -0.377 0.000 1.137 941 M CB -1.702 30.619 32.600 -0.466 0.000 1.378 941 M HN 0.428 nan 8.290 nan 0.000 0.426 942 S N -0.177 115.353 115.700 -0.284 0.000 2.595 942 S HA 0.016 4.475 4.470 -0.019 0.000 0.235 942 S C 1.674 176.290 174.600 0.027 0.000 0.974 942 S CA 0.488 58.623 58.200 -0.109 0.000 0.942 942 S CB -0.491 62.701 63.200 -0.013 0.000 0.766 942 S HN 0.479 nan 8.310 nan 0.000 0.536 943 L N -0.533 120.723 121.223 0.055 0.000 2.388 943 L HA 0.237 4.565 4.340 -0.019 0.000 0.209 943 L C 2.646 179.661 176.870 0.241 0.000 1.061 943 L CA 0.653 55.634 54.840 0.234 0.000 0.834 943 L CB -0.562 41.732 42.059 0.392 0.000 1.029 943 L HN 0.429 nan 8.230 nan 0.000 0.473 944 H N -0.151 118.941 119.070 0.035 0.000 2.421 944 H HA -0.161 4.383 4.556 -0.021 0.000 0.298 944 H C 2.005 177.448 175.328 0.192 0.000 1.087 944 H CA 1.392 57.464 56.048 0.040 0.000 1.330 944 H CB 0.345 30.105 29.762 -0.003 0.000 1.388 944 H HN 0.173 nan 8.280 nan 0.000 0.526 945 F N -0.068 119.952 119.950 0.118 0.000 2.270 945 F HA -0.070 4.444 4.527 -0.022 0.000 0.295 945 F C 2.309 178.150 175.800 0.067 0.000 1.087 945 F CA 0.175 58.210 58.000 0.059 0.000 1.365 945 F CB -0.989 38.044 39.000 0.056 0.000 1.056 945 F HN 0.151 nan 8.300 nan 0.000 0.506 946 L N 1.248 122.622 121.223 0.252 0.000 2.046 946 L HA -0.116 4.213 4.340 -0.019 0.000 0.208 946 L C 1.957 178.877 176.870 0.083 0.000 1.077 946 L CA 1.562 56.496 54.840 0.158 0.000 0.747 946 L CB -0.784 41.357 42.059 0.138 0.000 0.896 946 L HN 0.249 nan 8.230 nan 0.000 0.432 947 I N -3.843 116.722 120.570 -0.007 0.000 3.686 947 I HA -0.008 4.151 4.170 -0.019 0.000 0.308 947 I C 1.123 177.225 176.117 -0.025 0.000 1.254 947 I CA 0.572 61.807 61.300 -0.108 0.000 1.175 947 I CB -0.259 37.370 38.000 -0.618 0.000 1.009 947 I HN 0.182 nan 8.210 nan 0.000 0.459 948 L N -0.866 120.395 121.223 0.063 0.000 2.803 948 L HA 0.196 4.525 4.340 -0.019 0.000 0.246 948 L C 1.471 178.450 176.870 0.182 0.000 1.100 948 L CA 0.213 55.106 54.840 0.088 0.000 0.919 948 L CB 0.425 42.528 42.059 0.074 0.000 1.285 948 L HN 0.330 nan 8.230 nan 0.000 0.522 949 Y N -0.717 119.601 120.300 0.030 0.000 2.610 949 Y HA 0.338 4.877 4.550 -0.018 0.000 0.254 949 Y C 0.126 176.042 175.900 0.026 0.000 1.110 949 Y CA -0.214 57.899 58.100 0.022 0.000 1.238 949 Y CB 1.120 39.587 38.460 0.012 0.000 1.322 949 Y HN -0.264 nan 8.280 nan 0.000 0.547 950 V N 3.413 123.288 119.914 -0.066 0.000 2.338 950 V HA 0.004 4.113 4.120 -0.019 0.000 0.255 950 V C 0.564 176.621 176.094 -0.061 0.000 1.082 950 V CA 0.023 62.251 62.300 -0.120 0.000 0.951 950 V CB 0.478 32.275 31.823 -0.044 0.000 1.102 950 V HN 0.399 nan 8.190 nan 0.000 0.489 951 D N 5.985 126.329 120.400 -0.094 0.000 2.149 951 D HA -0.165 4.464 4.640 -0.019 0.000 0.194 951 D C -0.405 175.889 176.300 -0.009 0.000 1.001 951 D CA 1.679 55.659 54.000 -0.032 0.000 0.849 951 D CB -0.901 39.875 40.800 -0.040 0.000 0.939 951 D HN 0.465 nan 8.370 nan 0.000 0.449 952 P HA -0.120 nan 4.420 nan 0.000 0.216 952 P C 1.883 179.173 177.300 -0.017 0.000 1.150 952 P CA 0.861 63.948 63.100 -0.022 0.000 0.843 952 P CB -0.102 31.581 31.700 -0.027 0.000 0.787 953 L N -0.050 121.183 121.223 0.017 0.000 1.973 953 L HA -0.054 4.275 4.340 -0.019 0.000 0.208 953 L C -0.281 176.712 176.870 0.205 0.000 1.073 953 L CA 1.859 56.750 54.840 0.085 0.000 0.746 953 L CB -2.713 39.444 42.059 0.164 0.000 0.891 953 L HN 0.031 nan 8.230 nan 0.000 0.433 954 P HA -0.180 nan 4.420 nan 0.000 0.221 954 P C 1.620 178.983 177.300 0.105 0.000 1.145 954 P CA 1.708 64.902 63.100 0.157 0.000 0.795 954 P CB -0.006 31.747 31.700 0.089 0.000 0.775 955 M N -1.526 118.107 119.600 0.055 0.000 2.288 955 M HA 0.001 4.470 4.480 -0.019 0.000 0.266 955 M C 2.213 178.510 176.300 -0.006 0.000 1.072 955 M CA 1.353 56.665 55.300 0.020 0.000 1.132 955 M CB -0.416 32.186 32.600 0.002 0.000 1.386 955 M HN -0.153 nan 8.290 nan 0.000 0.432 956 I N -1.025 119.510 120.570 -0.058 0.000 2.333 956 I HA -0.157 4.001 4.170 -0.019 0.000 0.246 956 I C 1.561 177.564 176.117 -0.190 0.000 1.106 956 I CA 1.183 62.382 61.300 -0.169 0.000 1.411 956 I CB -0.210 37.603 38.000 -0.313 0.000 1.082 956 I HN 0.139 nan 8.210 nan 0.000 0.420 957 F N 1.172 121.099 119.950 -0.038 0.000 2.748 957 F HA -0.000 4.518 4.527 -0.015 0.000 0.299 957 F C 0.772 176.562 175.800 -0.016 0.000 1.154 957 F CA 0.281 58.260 58.000 -0.035 0.000 1.446 957 F CB -0.210 38.742 39.000 -0.080 0.000 1.112 957 F HN -0.128 nan 8.300 nan 0.000 0.584 958 K N 1.117 121.593 120.400 0.127 0.000 3.619 958 K HA -0.154 4.155 4.320 -0.019 0.000 0.275 958 K C -1.225 175.409 176.600 0.056 0.000 0.993 958 K CA 0.284 56.615 56.287 0.073 0.000 0.787 958 K CB -1.407 31.130 32.500 0.062 0.000 1.431 958 K HN 0.262 nan 8.250 nan 0.000 0.451 959 L N -0.571 120.684 121.223 0.053 0.000 2.341 959 L HA 0.722 5.051 4.340 -0.019 0.000 0.254 959 L C -0.637 176.219 176.870 -0.023 0.000 1.040 959 L CA -1.395 53.444 54.840 -0.002 0.000 0.837 959 L CB 2.079 44.142 42.059 0.007 0.000 1.425 959 L HN -0.119 nan 8.230 nan 0.000 0.414 960 K N 0.849 121.207 120.400 -0.071 0.000 2.571 960 K HA 0.613 4.921 4.320 -0.019 0.000 0.252 960 K C -0.992 175.552 176.600 -0.094 0.000 0.956 960 K CA -0.331 55.920 56.287 -0.060 0.000 0.822 960 K CB 1.955 34.420 32.500 -0.059 0.000 1.286 960 K HN 0.657 nan 8.250 nan 0.000 0.439 961 A N 4.534 127.320 122.820 -0.056 0.000 2.600 961 A HA 0.054 4.363 4.320 -0.019 0.000 0.244 961 A C -0.017 177.487 177.584 -0.135 0.000 1.016 961 A CA 0.489 52.479 52.037 -0.078 0.000 0.778 961 A CB -0.471 18.503 19.000 -0.044 0.000 0.920 961 A HN 0.634 nan 8.150 nan 0.000 0.513 962 L N 2.048 123.125 121.223 -0.244 0.000 2.436 962 L HA 0.204 4.533 4.340 -0.019 0.000 0.265 962 L C 0.773 177.547 176.870 -0.159 0.000 1.168 962 L CA -0.605 54.046 54.840 -0.315 0.000 0.815 962 L CB 0.553 42.196 42.059 -0.694 0.000 1.109 962 L HN 0.822 nan 8.230 nan 0.000 0.462 963 D N 0.620 120.976 120.400 -0.073 0.000 2.377 963 D HA 0.040 4.669 4.640 -0.019 0.000 0.245 963 D C 0.668 177.028 176.300 0.099 0.000 1.196 963 D CA -0.256 53.755 54.000 0.018 0.000 0.962 963 D CB 0.989 41.808 40.800 0.032 0.000 1.127 963 D HN 0.266 nan 8.370 nan 0.000 0.471 964 L N 1.226 122.524 121.223 0.125 0.000 2.456 964 L HA -0.027 4.302 4.340 -0.019 0.000 0.224 964 L C 1.909 178.879 176.870 0.166 0.000 1.148 964 L CA 1.544 56.486 54.840 0.172 0.000 0.825 964 L CB -0.426 41.687 42.059 0.090 0.000 0.937 964 L HN 0.492 nan 8.230 nan 0.000 0.450 965 T N -2.221 112.414 114.554 0.134 0.000 3.051 965 T HA -0.036 4.303 4.350 -0.019 0.000 0.255 965 T C 1.568 176.375 174.700 0.178 0.000 1.085 965 T CA 0.514 62.703 62.100 0.148 0.000 1.109 965 T CB 0.086 69.034 68.868 0.134 0.000 0.921 965 T HN 0.372 nan 8.240 nan 0.000 0.488 966 Q N -0.862 119.017 119.800 0.132 0.000 2.403 966 Q HA 0.133 4.461 4.340 -0.019 0.000 0.203 966 Q C 1.148 177.111 176.000 -0.062 0.000 0.932 966 Q CA 0.303 56.149 55.803 0.072 0.000 0.945 966 Q CB 0.114 28.850 28.738 -0.004 0.000 1.045 966 Q HN 0.632 nan 8.270 nan 0.000 0.511 967 W N -0.891 120.440 121.300 0.051 0.000 2.762 967 W HA 0.084 4.725 4.660 -0.031 0.000 0.265 967 W C 1.174 177.710 176.519 0.029 0.000 1.263 967 W CA -0.255 57.111 57.345 0.035 0.000 1.411 967 W CB 0.560 30.027 29.460 0.011 0.000 1.065 967 W HN 0.120 nan 8.180 nan 0.000 0.609 968 L N -0.408 120.969 121.223 0.258 0.000 2.209 968 L HA -0.074 4.255 4.340 -0.019 0.000 0.207 968 L C 2.333 179.241 176.870 0.063 0.000 1.094 968 L CA 1.414 56.345 54.840 0.151 0.000 0.790 968 L CB -1.059 41.068 42.059 0.114 0.000 0.932 968 L HN -0.022 nan 8.230 nan 0.000 0.447 969 M N -1.213 118.383 119.600 -0.006 0.000 2.117 969 M HA -0.143 4.326 4.480 -0.019 0.000 0.262 969 M C 2.108 178.311 176.300 -0.162 0.000 1.065 969 M CA 1.628 56.800 55.300 -0.213 0.000 1.114 969 M CB -0.314 31.970 32.600 -0.527 0.000 1.361 969 M HN 0.015 nan 8.290 nan 0.000 0.408 970 V N 0.535 120.427 119.914 -0.036 0.000 2.233 970 V HA -0.312 3.797 4.120 -0.019 0.000 0.247 970 V C 2.334 178.476 176.094 0.080 0.000 1.050 970 V CA 2.142 64.466 62.300 0.040 0.000 1.010 970 V CB -0.938 30.991 31.823 0.176 0.000 0.637 970 V HN 0.562 nan 8.190 nan 0.000 0.444 971 L N -0.761 120.540 121.223 0.130 0.000 2.456 971 L HA -0.141 4.188 4.340 -0.019 0.000 0.224 971 L C 2.386 179.289 176.870 0.055 0.000 1.148 971 L CA 1.267 56.171 54.840 0.106 0.000 0.825 971 L CB -0.655 41.472 42.059 0.115 0.000 0.937 971 L HN 0.359 nan 8.230 nan 0.000 0.450 972 K N 0.162 120.569 120.400 0.012 0.000 2.137 972 K HA 0.002 4.311 4.320 -0.019 0.000 0.202 972 K C 1.973 178.563 176.600 -0.016 0.000 1.052 972 K CA 0.872 57.150 56.287 -0.015 0.000 0.961 972 K CB 0.272 32.735 32.500 -0.063 0.000 0.741 972 K HN 0.214 nan 8.250 nan 0.000 0.452 973 I N 0.139 120.683 120.570 -0.044 0.000 3.645 973 I HA -0.075 4.084 4.170 -0.019 0.000 0.300 973 I C 1.320 177.476 176.117 0.065 0.000 1.260 973 I CA 0.416 61.694 61.300 -0.037 0.000 1.365 973 I CB 0.422 38.331 38.000 -0.151 0.000 1.077 973 I HN 0.010 nan 8.210 nan 0.000 0.439 974 S N 0.845 116.596 115.700 0.085 0.000 2.324 974 S HA -0.047 4.412 4.470 -0.019 0.000 0.210 974 S C 1.786 176.476 174.600 0.150 0.000 1.027 974 S CA 0.793 59.077 58.200 0.140 0.000 0.945 974 S CB -0.414 62.860 63.200 0.124 0.000 0.908 974 S HN 0.440 nan 8.310 nan 0.000 0.496 975 L N 3.245 124.528 121.223 0.100 0.000 2.064 975 L HA -0.126 4.203 4.340 -0.019 0.000 0.216 975 L C -1.129 175.766 176.870 0.042 0.000 1.077 975 L CA 1.595 56.475 54.840 0.067 0.000 0.766 975 L CB -1.245 40.846 42.059 0.054 0.000 0.890 975 L HN 0.245 nan 8.230 nan 0.000 0.435 976 P HA -0.178 nan 4.420 nan 0.000 0.227 976 P C 1.682 178.895 177.300 -0.145 0.000 1.145 976 P CA 1.118 64.226 63.100 0.014 0.000 0.769 976 P CB -0.226 31.539 31.700 0.108 0.000 0.769 977 V N -0.123 119.676 119.914 -0.191 0.000 2.453 977 V HA -0.158 3.951 4.120 -0.019 0.000 0.247 977 V C 2.248 178.223 176.094 -0.198 0.000 1.048 977 V CA 1.134 63.202 62.300 -0.387 0.000 1.049 977 V CB -0.782 30.897 31.823 -0.240 0.000 0.672 977 V HN -0.044 nan 8.190 nan 0.000 0.457 978 I N 0.730 121.245 120.570 -0.091 0.000 2.567 978 I HA -0.129 4.030 4.170 -0.019 0.000 0.257 978 I C 2.347 178.428 176.117 -0.060 0.000 1.184 978 I CA 1.375 62.643 61.300 -0.053 0.000 1.451 978 I CB -0.797 37.193 38.000 -0.018 0.000 1.089 978 I HN 0.465 nan 8.210 nan 0.000 0.441 979 G N 0.849 109.604 108.800 -0.076 0.000 2.408 979 G HA2 -0.176 3.773 3.960 -0.019 0.000 0.213 979 G HA3 -0.176 3.773 3.960 -0.019 0.000 0.213 979 G C 1.566 176.420 174.900 -0.077 0.000 1.177 979 G CA 0.067 45.130 45.100 -0.061 0.000 0.802 979 G HN 0.245 nan 8.290 nan 0.000 0.533 980 L N 0.983 122.120 121.223 -0.144 0.000 2.131 980 L HA 0.032 4.361 4.340 -0.019 0.000 0.210 980 L C 1.967 178.764 176.870 -0.120 0.000 1.092 980 L CA 2.248 56.993 54.840 -0.158 0.000 0.759 980 L CB -0.579 41.296 42.059 -0.305 0.000 0.903 980 L HN 0.213 nan 8.230 nan 0.000 0.435 981 D N -0.979 119.352 120.400 -0.115 0.000 2.084 981 D HA -0.165 4.464 4.640 -0.019 0.000 0.196 981 D C 2.006 178.294 176.300 -0.018 0.000 0.985 981 D CA 1.089 55.044 54.000 -0.075 0.000 0.826 981 D CB 0.111 40.878 40.800 -0.055 0.000 0.978 981 D HN 0.302 nan 8.370 nan 0.000 0.456 982 E N 0.265 120.457 120.200 -0.012 0.000 2.130 982 E HA -0.182 4.157 4.350 -0.019 0.000 0.196 982 E C 2.396 179.037 176.600 0.068 0.000 0.998 982 E CA 0.578 56.987 56.400 0.015 0.000 0.806 982 E CB -0.305 29.383 29.700 -0.019 0.000 0.738 982 E HN 0.508 nan 8.360 nan 0.000 0.459 983 I N 0.646 121.252 120.570 0.061 0.000 2.226 983 I HA -0.271 3.888 4.170 -0.019 0.000 0.245 983 I C 2.365 178.586 176.117 0.175 0.000 1.100 983 I CA 0.882 62.248 61.300 0.110 0.000 1.374 983 I CB -0.258 37.788 38.000 0.077 0.000 1.057 983 I HN 0.052 nan 8.210 nan 0.000 0.413 984 L N 0.267 121.589 121.223 0.165 0.000 2.141 984 L HA -0.170 4.159 4.340 -0.019 0.000 0.209 984 L C 2.495 179.548 176.870 0.304 0.000 1.094 984 L CA 1.246 56.269 54.840 0.304 0.000 0.763 984 L CB -0.538 41.604 42.059 0.138 0.000 0.908 984 L HN 0.150 nan 8.230 nan 0.000 0.437 985 K N -0.463 120.053 120.400 0.193 0.000 2.025 985 K HA -0.145 4.163 4.320 -0.019 0.000 0.207 985 K C 1.942 178.680 176.600 0.229 0.000 1.049 985 K CA 1.310 57.706 56.287 0.182 0.000 0.933 985 K CB -0.202 32.379 32.500 0.135 0.000 0.714 985 K HN 0.069 nan 8.250 nan 0.000 0.438 986 F N 1.188 121.164 119.950 0.044 0.000 2.748 986 F HA 0.089 4.605 4.527 -0.019 0.000 0.299 986 F C 1.587 177.398 175.800 0.018 0.000 1.154 986 F CA 0.251 58.266 58.000 0.026 0.000 1.446 986 F CB 0.090 39.102 39.000 0.021 0.000 1.112 986 F HN -0.050 nan 8.300 nan 0.000 0.584 987 I N -1.216 119.386 120.570 0.053 0.000 2.512 987 I HA -0.071 4.088 4.170 -0.019 0.000 0.247 987 I C 2.441 178.435 176.117 -0.205 0.000 1.094 987 I CA 0.917 62.167 61.300 -0.084 0.000 1.427 987 I CB -0.710 37.252 38.000 -0.063 0.000 1.149 987 I HN -0.026 nan 8.210 nan 0.000 0.438 988 A N 0.527 123.225 122.820 -0.203 0.000 2.178 988 A HA -0.183 4.126 4.320 -0.019 0.000 0.218 988 A C 2.319 179.830 177.584 -0.121 0.000 1.157 988 A CA 1.340 53.239 52.037 -0.231 0.000 0.689 988 A CB -0.626 18.367 19.000 -0.011 0.000 0.787 988 A HN 0.325 nan 8.150 nan 0.000 0.465 989 R N -1.192 119.240 120.500 -0.113 0.000 2.140 989 R HA 0.072 4.401 4.340 -0.019 0.000 0.213 989 R C 0.722 176.879 176.300 -0.238 0.000 1.059 989 R CA 0.950 56.964 56.100 -0.144 0.000 1.000 989 R CB 0.118 30.341 30.300 -0.127 0.000 0.910 989 R HN 0.480 nan 8.270 nan 0.000 0.455 990 N N -1.695 116.843 118.700 -0.270 0.000 2.145 990 N HA 0.019 4.748 4.740 -0.019 0.000 0.219 990 N C -0.351 175.118 175.510 -0.068 0.000 1.266 990 N CA 0.239 53.147 53.050 -0.237 0.000 0.902 990 N CB 1.001 39.250 38.487 -0.395 0.000 1.078 990 N HN 0.136 nan 8.380 nan 0.000 0.513 991 Y N 0.048 120.205 120.300 -0.237 0.000 2.672 991 Y HA 0.412 4.951 4.550 -0.018 0.000 0.252 991 Y C 0.559 176.324 175.900 -0.225 0.000 1.132 991 Y CA 0.120 58.096 58.100 -0.206 0.000 1.228 991 Y CB 0.989 39.338 38.460 -0.185 0.000 1.310 991 Y HN -0.137 nan 8.280 nan 0.000 0.549 992 L N 1.236 122.342 121.223 -0.195 0.000 3.186 992 L HA 0.344 4.673 4.340 -0.019 0.000 0.292 992 L C -0.857 175.921 176.870 -0.154 0.000 1.303 992 L CA 0.081 54.801 54.840 -0.200 0.000 0.940 992 L CB 0.457 42.350 42.059 -0.276 0.000 1.358 992 L HN -0.037 nan 8.230 nan 0.000 0.581 993 E N 0.694 120.791 120.200 -0.171 0.000 2.241 993 E HA 0.777 5.115 4.350 -0.019 0.000 0.263 993 E C -0.188 176.330 176.600 -0.137 0.000 0.882 993 E CA -0.257 56.063 56.400 -0.132 0.000 0.769 993 E CB 2.479 32.105 29.700 -0.123 0.000 1.185 993 E HN 0.315 nan 8.360 nan 0.000 0.415 994 G N 0.000 108.741 108.800 -0.098 0.000 5.446 994 G HA2 0.000 3.949 3.960 -0.019 0.000 0.244 994 G HA3 0.000 3.949 3.960 -0.019 0.000 0.244 994 G CA 0.000 45.047 45.100 -0.088 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925